1H NMR Spectrum (1D, 600 MHz, H2O, predicted) (MMDBc0033097)
Spectrum Details
MiMe ID: | MMDBc0033097 |
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Compound name: | itaconyl-CoA |
Spectrum type: | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) |
Spectrum View
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Assignment Table | |||||||
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Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. H's | Atom No. | Peak Centers (ppm) | |
1 | 8.28 | 1 | s | 1 | 87 | 8.28 | |
2 | 8.10 | 1 | s | 1 | 90 | 8.10 | |
3 | 7.75 | 3 | t | 1 | 70 | 7.747.757.76 | |
4 | 7.47 | 3 | t | 1 | 65 | 7.467.477.48 | |
5 | 6.05 | 1 | s | 2 | 57 58 | 6.05 | |
6 | 5.97 | 2 | d | 1 | 86 | 5.965.98 | |
7 | 4.31 | 4 | dd | 1 | 93 | 4.304.314.314.32 | |
8 | 4.25 | 4 | dd | 2 | 83 84 | 4.244.254.254.26 | |
9 | 4.24 | 7 | ddd | 1 | 91 | 4.234.234.234.244.254.254.25 | |
10 | 4.07 | 2 | d | 2 | 79 80 | 4.064.08 | |
11 | 4.03 | 9 | tt | 1 | 85 | 4.014.024.024.034.034.034.044.044.05 | |
12 | 3.85 | 1 | s | 1 | 71 | 3.85 | |
13 | 3.71 | 6 | dt | 2 | 63 64 | 3.693.703.713.723.723.73 | |
14 | 3.59 | 4 | dt | 2 | 68 69 | 3.573.583.603.61 | |
15 | 3.11 | 3 | t | 2 | 61 62 | 3.103.113.12 | |
16 | 2.60 | 3 | t | 2 | 66 67 | 2.592.602.61 | |
17 | 2.05 | 1 | s | 2 | 59 60 | 2.05 | |
18 | 0.95 | 1 | s | 6 | 73 74 75 76 77 78 | 0.95 |
Experimental Conditions
Solvent: | H2O |
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Nucleus: | 1H |
Frequency: | 600 MHz |
Documentation
Document Description | Download | File Size |
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Peak List (TXT) | Download file | 4.46 KB |
Peak Assignments (TXT) | Download file | 1.26 KB |
Spectra Image with Peak Assignments | Not Available | Not Available |
Raw Spectrum Image | Not Available | Not Available |
nmrML File (NMRML) | Download file | 566 KB |
JCAMP-DX File (JDX) | Download file | 161 KB |
Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
Validation Report | Not Available | Not Available |
References
Not Available