1H NMR Spectrum (1D, 400 MHz, D2O, predicted) (NP0065721)

Spectrum Details
NP-MRD ID:NP0065721
Compound name:(3R,3'R,6'R)-beta,epsilon-Carotene-3,3',19-triol
Spectrum type:1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
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?JSV
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Multiplets❮ ❯
7.36
7.36
7.36
7.29
7.28
7.28
7.28
7.28
7.28
7.28
7.28
7.27
6.65
4.38
3.85
3.49
3.34
2.86
2.86
2.86
2.37
2.25
2.17
2.00
1.75
1.62
1.62
1.62
0.97
0.94
0.94
0.69
0.69
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
17.364dd1
71
7.337.367.377.40
27.362d1
78
7.357.38
37.362d1
80
7.347.38
47.292d1
60
7.277.31
57.282d1
73
7.277.29
67.281s1
77
7.28
77.281s1
66
7.28
87.281dd1
65
7.28
97.281s1
64
7.28
107.282d1
79
7.267.29
117.284q1
70
7.267.267.297.29
127.272d1
47
7.277.27
136.654dd1
59
6.626.646.666.68
144.388ddd1
48
4.364.364.374.374.394.394.404.40
153.851s2
97
98
3.85
163.4915m1
87
3.443.453.453.463.463.473.483.493.503.513.523.523.533.533.54
173.342d1
58
3.333.35
182.868dd2
89
90
2.832.852.872.892.822.852.872.90
192.862d1
81
2.842.88
202.8612dd1
72
2.762.792.822.832.852.852.872.872.892.892.932.96
212.374dd1
51
2.352.362.382.39
222.251s3
61
62
63
2.25
232.178dd2
85
86
2.142.172.172.202.132.162.182.21
242.004dd1
50
1.972.002.002.03
251.751s3
44
45
46
1.75
261.622s3
82
83
84
1.621.62
271.622s3
74
75
76
1.621.62
281.622s3
67
68
69
1.621.62
290.971s6
91
92
93
94
95
96
0.97
300.944t1
56
0.910.940.940.97
310.941s3
52
53
54
0.94
320.694q1
57
0.670.670.700.71
330.694q1
55
0.670.670.700.71
Experimental Conditions
Solvent:D2O
Nucleus:1H
Frequency:400 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file6.79 KB
Peak Assignments (TXT)Download file1.54 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file573 KB
JCAMP-DX File (JDX)Download file165 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available