Spectrum Details
MiMe ID:MMDBc0033097
Compound name:itaconyl-CoA
Spectrum type:1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
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Multiplets 
8.28
8.10
7.75
7.47
6.05
5.97
4.31
4.25
4.24
4.07
4.03
3.85
3.71
3.59
3.11
2.60
2.05
0.95
Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
18.281s1
87
8.28
28.101s1
90
8.10
37.753t1
70
7.747.757.76
47.473t1
65
7.467.477.48
56.051s2
57
58
6.05
65.972d1
86
5.965.98
74.314dd1
93
4.304.314.314.32
84.254dd2
83
84
4.244.254.254.26
94.247ddd1
91
4.234.234.234.244.254.254.25
104.072d2
79
80
4.064.08
114.039tt1
85
4.014.024.024.034.034.034.044.044.05
123.851s1
71
3.85
133.716dt2
63
64
3.693.703.713.723.723.73
143.594dt2
68
69
3.573.583.603.61
153.113t2
61
62
3.103.113.12
162.603t2
66
67
2.592.602.61
172.051s2
59
60
2.05
180.951s6
73
74
75
76
77
78
0.95
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:600 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file4.46 KB
Peak Assignments (TXT)Download file1.26 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file566 KB
JCAMP-DX File (JDX)Download file161 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available