1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) (NP0038280)

Spectrum Details
NP-MRD ID:NP0038280
Compound name:cygnocholic acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated)
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?JSV
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Multiplets❮ ❯
4.01
3.97
3.39
2.33
2.21
2.16
2.07
1.97
1.88
1.86
1.83
1.78
1.78
1.66
1.63
1.63
1.55
1.52
1.52
1.46
1.44
1.35
1.35
1.32
1.30
1.29
1.01
0.94
0.92
0.73
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
14.016s1
68
4.034.024.004.024.003.99
23.978s1
42
3.993.973.973.963.983.973.973.95
33.398s1
61
3.403.403.403.393.393.383.383.38
42.336s1
36
2.332.312.302.362.352.33
52.216s1
37
2.212.192.182.242.232.21
62.168s1
64
2.152.152.152.142.182.172.172.17
72.078s1
66
2.072.052.062.052.092.082.092.07
81.978s1
49
1.971.961.961.951.991.981.981.97
91.888s1
40
1.891.871.871.851.911.891.891.87
101.868s1
46
1.891.861.871.841.881.851.861.83
111.838s1
57
1.841.811.831.801.861.831.851.82
121.7812s1
34
1.791.771.761.781.761.751.811.801.781.801.791.77
131.788s1
41
1.781.761.771.751.811.791.801.78
141.666s1
45
1.691.671.641.681.651.63
151.638s1
63
1.631.611.621.611.651.641.651.63
161.6315s1
60
1.641.611.601.631.611.621.601.661.641.651.631.661.631.651.62
171.558s1
67
1.561.531.541.521.581.561.571.54
181.5216s1
47
1.521.511.511.501.511.501.501.491.551.541.541.531.541.531.531.52
191.524s1
44
1.541.521.521.50
201.466s1
39
1.481.471.451.471.451.44
211.4421s1
33
1.481.461.451.441.461.451.441.431.411.471.451.441.431.451.441.431.421.441.431.421.40
221.3516s1
65
1.371.351.361.341.371.341.361.331.371.341.361.331.361.341.351.33
231.3516s1
59
1.351.341.341.331.341.331.341.331.371.361.371.361.371.361.361.35
241.3212s1
35
1.331.311.301.321.301.291.351.341.321.341.331.31
251.308s1
50
1.311.281.301.271.331.301.321.29
261.2916s1
48
1.311.281.281.261.301.271.271.251.331.311.311.281.321.301.301.27
271.018s1
58
1.001.001.000.991.031.021.021.01
280.942s3
30
31
32
0.950.93
290.921s3
54
55
56
0.92
300.731s3
51
52
53
0.73
Experimental Conditions
Solvent:CD3OD
Instrument Type:Inova
Nucleus:1H
Frequency:500 MHz
Chemical Shift Reference:TMS
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file6.39 KB
Peak Assignments (TXT)Download file695 Bytes
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file166 KB
JCAMP-DX FileNot AvailableNot Available
Raw Free Induction Decay (FID) File for Spectral Processing (Inova)Not AvailableNot Available
Validation Report (ZIP)Download file5.06 KB
References
  1. JEOL : http://www.j-resonance.com/en/nmrdb/ (The 13C/1H-NMR database for natural products [CH-NMR-NP]) [20728 ]