Propose a structural formula for compound A, C5H13N, given its IR and calculated 1H-NMR spectra. 5001000D20004DO03000MAVENUMB ERI-il181638461206649626833032956931641151113014701144628994119352875121588136813372811004181927962716384710824474236557450846J1041128812611872 444216664262983 6681IR Spectra in this question courtesy of SDBSWEB: http://sdbs.riodb.aist. go.jp (National Institute of AdvancedIndustrial Science and Technology, 27 March 2013)wlllhPPMsplitpattern2.dcrsplitpatterm3.der VtakeAssignment/takeCovalentActivity.do?locator=Dassignment-take[References]D.40003000200015001000500HAVENUMBERI-1120611519626864161638466429564.1470114493128731388191130338996227961219682B11004181941271638133747108244742361872L6564412884210415550874421261529836646181IR Spectra In this question courtesy of SDBSWeb http: sabs.riodb atst go.jp (National Institute of ahancedIndustrial Science and Technology 27 March 2013)TRANSMITTANCEI2

The provided molecular formula of the compound is C5H13N. So, the double bond equivalent (DBE) = 5 –…

Answered: Propose a structural formula for…

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Propose a structural formula for compound A, C5H13N, given its IR and calculated 1H-NMR spectra.

Fundamentals Of Analytical Chemistry

9th Edition

ISBN:9781285640686

Author:Skoog

Publisher:Skoog

Chapter25: Instruments For Optical Spectrometry

Section: Chapter Questions

Problem 25.22QAP

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Question

Propose a structural formula for compound A, C₅H₁₃N, given its IR and calculated ¹H-NMR spectra.

500
1000
D
2000
4DO0
3000
MAVENUMB ERI-il
18
1638
46
1206
64
962
68
3303
2956
931
64
1151
1130
1470
11
44
62
899
41
19
35
2875
12
1588
1368
1337
28
1100
41
819
2796
2716
38
47
1082
44
742
36
55
74
508
46J
1041
1288
1261
1872 44
42
1666
42
62
983 66
81
IR Spectra in this question courtesy of SDBSWEB: http://sdbs.riodb.aist. go.jp (National Institute of Advanced
Industrial Science and Technology, 27 March 2013)
wlllh
PPM
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splitpatterm3.der

VtakeAssignment/takeCovalentActivity.do?locator=Dassignment-take
[References]
D.
4000
3000
2000
1500
1000
500
HAVENUMBERI-1
1206
1151
962
68
64
16
1638
46
64
2956
4.
1470
11
44
931
2873
1388
19
1130
33
899
62
2796
12
1968
2B
1100
41
819
41
2716
38
1337
47
1082
44
742
36
1872
L656
44
1288
42
1041
55
508
74
42
1261
52
983
66
461
81
IR Spectra In this question courtesy of SDBSWeb http: sabs.riodb atst go.jp (National Institute of ahanced
Industrial Science and Technology 27 March 2013)
TRANSMITTANCEI2

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1. Calculate the Coulombic (ionic) interaction energy between atoms for the C=O ∙∙∙H-N hydrogen bond in a peptide at a distance of 1.5Å in units of kJ/mol. Assume that the partial charge on O is −0.434, the partial charge on H is +0.417 and the permittivity of the protein environment is 6. coulimbic interaction energy= 27.95 kJ/mol 2. The dipole moment of an individual peptide group is approximately 3.46 D. Assuming that the dipoles line up linearly estimate the energy of interaction (in kJ.mol) of the hydrogen bond in Q1 using a dipole-dipole model. *******please answer #2**********
Please help me fill the remaining spaces. The spaces marked with NA don't need to be calculate. Name Molecular Weight Amounts used mmol Equivalents M.P or BP (C) Density (g/mL) Indene 116.16 .5mL MP=-2 BP=181-182 .996 Borane-tetrahydrofuran Complex 85.94 2.8mL 1 MP= -108 BP=66 NA 30% Hydrogen Peroxide 34.01 1mL MP= -33 BP=108 NA 3 M NaOH(aq) 40 .7mL MP=318 BP=1390 NA Diethyl Ether 74.12 NA NA NA BP=75-78 .902 Hexanes 86.17 NA NA NA BP=65.5-68.3 .659 Potassium Permanganate 158.03 NA NA NA BP=100 1.0 1-Indanol (Product) 134.13 NA MP=50-54 NA 2-Indanol (Product) Same as Above Same as Above Same as Above NA MP=68-71 NA
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1. Calculate the Coulombic (ionic) interaction energy between atoms for the C=O ∙∙∙H-N hydrogen bond in a peptide at a distance of 1.5Å in units of kJ/mol. Assume that the partial charge on O is −0.434, the partial charge on H is +0.417 and the permittivity of the protein environment is 6. 2. The dipole moment of an individual peptide group is approximately 3.46 D. Assuming that the dipoles line up linearly estimate the energy of interaction (in kJ.mol) of the hydrogen bond in Q1 using a dipole-dipole model.