Homework Answers
MS data:
M+ (parent peak) = 86
Percent of carbon = 69.8%
Percent of hydrogen = 11.6%
Percent of oxygen = 18.6%
To calculate empirical formula
Converting mass of each element to moles using molar mass
molar mass of carbon = 69.8/12 = 5.8
molar mass of hydrogen = 11.6 / 1 = 11.6
molar mass of oxygen = 18.6 / 16 = 1.16
Dividing each mole value by the smallest number of moles calculated. Round to the nearest whole number.
Number of carbon = 5.8/1.16 = 5
Number of hydrogen = 11.6/1.16 = 10
Number of oxygen = 1.16/1.16 = 1
Empirical formula = C5H10O
Molecular weight of empirical formula is 86 and hence molecular formula is same that is C5H10O
Degree of Unsaturation (DOU) is also known as Double Bond Equivalent. If the molecular formula is given, DoU can be calculated as follows
DoU = 2C+2+N−X−H
2
C is the number of carbons
N is the number of nitrogens
X is the number of halogens (F, Cl, Br, I)
H is the number of hydrogens
Molecular formula = C5H10O
Sites of unsaturation = 1
1H NMR data:
|
NMR peak value (ppm) |
Protons |
Indication |
|
5.4 |
1H |
proton attached to CH2 |
|
4.1 |
2H |
CH2 attached to electronegative atom such as oxygen |
|
2.4 |
1H |
Broad peak due to exchangeable proton (OH) |
|
1.8 |
3H |
CH3 attached to quaternary carbon |
|
1.7 |
3H |
CH3 attached to quaternary carbon |
13C NMR data:
|
NMR peak value (ppm) |
Indication |
|
110 |
Alkene carbon |
|
105 |
Alkene carbon attached to proton (CH) |
|
64 |
Aliphatic CH2 attached to oxygen |
|
42 |
Aliphatic CH3 |
|
40 |
Aliphatic CH3 |
IR data:
|
IR peak (cm-1) |
Indication |
|
3200 broad peak |
O-H stretch |
|
2900 |
Aliphatic C-H stretch |
|
1650 |
C=C stretch of alkene |
All above data confirms following structure
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spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem 1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
ЗН 1Н 20 200 180 160 140 120 100 во со 40 20 C 69.8; H = 11.6; 20 = 18.6 100 MS-N-0051 10 20 30 40 50 60 70 TTTTTTTTT 80 90
spectral problem its all one problem 1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#6 SH (2 x CH2 and 1 x CH) 36 200 180 160 140 120 100 80 60 40 MI =102 (C = 70.6; SH - 13.7; 10 - 15.7) 100 NS-W-714 80- 10 20 30 40 50 60 70 80...
spectral problem its all one problem 1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#9 2H 2H ddd 200 180 160 140 120 100 80 60 40 20 SEC=81.1: H-8.1; 90 = 10.8 100- PES-NU-4025 60 40 20 - Other 50 75 100 125 150 R-C-C-CR MAVENUME ERI-1
spectral problem its all one problem 1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
SH SH 1H 1 1Η ddd 200 0 100 120 160 140 120 100 BD5040 ZO %C = 79.4: %H = 8.8: %0 - 11.8 100 MS-NW-3395 40- 20 Orth 25 TTTTTTTTTT 125 50 75 100
spectral problem its all one problem 1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#12 HINT FOR PROTON: The Hat 6.5 ppm is adjacent to 2 H of different types (not 3 H of the same type). 10 1Н 1н Тінін | 180 140 40 200 160 120 100 200 80 FC = 62.5; SH...
spectral problem its all one problem 1) identify the compounds for each group of spectra (mass,...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#5 Зн 2H 4.0 3.5 20 10 200 180 160 140 120 100 во 60 40 20 MI - 137 (SC - 35.0; H = 6.6; Br. 58.4) 100- - -0164 60- 0- TTTT TTTTTTTTT 25 50 100 125
its all one problem on spectra please help 1. to identify fhe compounds of each spectra...
its all one problem on spectra please help
1. to identify fhe compounds of each spectra
2.assign proton , carbon and IR spectra
3 200 100 160 140 120 1000 6040200 MI = 89 %C = 40.4: %H = 7.8: %0 = 36.0) 100 MS- N910 10 20 30 40 50 60 7080 RVENUTERII
Propose a structure that is consistent with the spectral data below. (The spectra and data provided...
Propose a structure that is consistent with the spectral data below. (The spectra and data provided were obtained from a pure organic molecule. For 'H NMR spectra, the integral is given in number of hydrogens (#H) or as a relative ratio.) Mass Spectrum (not shown): [M] = 162 m/z (100%) IR Spectrum (not shown): 3022, 2980, 1685, 1600, 1510 cm (all listed are strong (s) unless otherwise indicated) 'H NMR Spectrum (300 MHz, DMSO, 25 °C) dd (J= 2 Hz)...
This can be solved without a NMR. 7) Identify the molecule from its IR and mass spectra below: MASS SPECTRUM INFRARED...
This can be solved without a NMR.
7) Identify the molecule from its IR and mass spectra below: MASS SPECTRUM INFRARED SPECTRUM los Rel. Intensity Relative Transmittance 04 120 710 519 637 1701 060 0. 0L 20 3000 1000 140 40 60 80 2000 120 100 Wavenumber(cm-1)
I need #2 answered Spectroscopy Problem Set15pts CHEM220B Spring 2019 1. Unknown number 44 SU 2....
I need #2 answered
Spectroscopy Problem Set15pts CHEM220B Spring 2019 1. Unknown number 44 SU 2. Mass Spectrum (3pts) a. Molecular lon m/z value l08 Attach your unknown spectra to this sheet. and structure of the Molecular lon b. Base Peak m/z value and structure of that ion c. One other significant peak m/z value and structure of that ion 3. C13 NMR Spectrum (3pts) Draw Structure of Compound on the C13 NMR spectrum and identify each signal with the...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
ЗН 1Н 20 200 180 160 140 120 100 во со 40 20 C 69.8; H = 11.6; 20 = 18.6 100 MS-N-0051 10 20 30 40 50 60 70 TTTTTTTTT 80 90
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#6 SH (2 x CH2 and 1 x CH) 36 200 180 160 140 120 100 80 60 40 MI =102 (C = 70.6; SH - 13.7; 10 - 15.7) 100 NS-W-714 80- 10 20 30 40 50 60 70 80...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#9 2H 2H ddd 200 180 160 140 120 100 80 60 40 20 SEC=81.1: H-8.1; 90 = 10.8 100- PES-NU-4025 60 40 20 - Other 50 75 100 125 150 R-C-C-CR MAVENUME ERI-1
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
SH SH 1H 1 1Η ddd 200 0 100 120 160 140 120 100 BD5040 ZO %C = 79.4: %H = 8.8: %0 - 11.8 100 MS-NW-3395 40- 20 Orth 25 TTTTTTTTTT 125 50 75 100
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#12 HINT FOR PROTON: The Hat 6.5 ppm is adjacent to 2 H of different types (not 3 H of the same type). 10 1Н 1н Тінін | 180 140 40 200 160 120 100 200 80 FC = 62.5; SH...
spectral problem its all one problem
1) identify the compounds for each group of spectra (mass,
proton, carbon and IR)
2) assign the proton and carbon and IR spectra. identify at
least two possible fragmentation on the mass spectrum
#5 Зн 2H 4.0 3.5 20 10 200 180 160 140 120 100 во 60 40 20 MI - 137 (SC - 35.0; H = 6.6; Br. 58.4) 100- - -0164 60- 0- TTTT TTTTTTTTT 25 50 100 125
its all one problem on spectra please help
1. to identify fhe compounds of each spectra
2.assign proton , carbon and IR spectra
3 200 100 160 140 120 1000 6040200 MI = 89 %C = 40.4: %H = 7.8: %0 = 36.0) 100 MS- N910 10 20 30 40 50 60 7080 RVENUTERII
Propose a structure that is consistent with the spectral data below. (The spectra and data provided were obtained from a pure organic molecule. For 'H NMR spectra, the integral is given in number of hydrogens (#H) or as a relative ratio.) Mass Spectrum (not shown): [M] = 162 m/z (100%) IR Spectrum (not shown): 3022, 2980, 1685, 1600, 1510 cm (all listed are strong (s) unless otherwise indicated) 'H NMR Spectrum (300 MHz, DMSO, 25 °C) dd (J= 2 Hz)...
This can be solved without a NMR.
7) Identify the molecule from its IR and mass spectra below: MASS SPECTRUM INFRARED SPECTRUM los Rel. Intensity Relative Transmittance 04 120 710 519 637 1701 060 0. 0L 20 3000 1000 140 40 60 80 2000 120 100 Wavenumber(cm-1)
I need #2 answered
Spectroscopy Problem Set15pts CHEM220B Spring 2019 1. Unknown number 44 SU 2. Mass Spectrum (3pts) a. Molecular lon m/z value l08 Attach your unknown spectra to this sheet. and structure of the Molecular lon b. Base Peak m/z value and structure of that ion c. One other significant peak m/z value and structure of that ion 3. C13 NMR Spectrum (3pts) Draw Structure of Compound on the C13 NMR spectrum and identify each signal with the...
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