1H NMR Spectrum (1D, 400 MHz, D2O, predicted) (FDB022730)
Spectrum Details
FooDB ID: | FDB022730 |
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Compound name: | Pteroyltriglutamic acid |
Spectrum type: | 1H NMR Spectrum (1D, 400 MHz, D2O, 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 | 8.99 | 8 | ddd | 1 | 57 | 8.988.988.988.989.009.009.009.00 | |
2 | 8.66 | 1 | s | 1 | 82 | 8.66 | |
3 | 7.83 | 8 | ddd | 1 | 81 | 7.827.827.827.827.847.847.847.84 | |
4 | 7.48 | 8 | ddd | 1 | 80 | 7.477.477.477.477.497.497.497.49 | |
5 | 7.28 | 8 | ddd | 1 | 56 | 7.277.277.277.277.297.297.297.29 | |
6 | 4.50 | 1 | s | 2 | 53 54 | 4.50 | |
7 | 3.85 | 15 | t | 1 | 59 | 3.803.813.823.823.833.833.843.853.863.873.873.883.883.893.90 | |
8 | 3.85 | 9 | t | 1 | 71 | 3.723.733.743.833.853.873.953.973.98 | |
9 | 3.85 | 14 | t | 1 | 65 | 3.773.793.803.813.833.843.843.853.853.873.873.883.933.94 | |
10 | 2.18 | 11 | t | 2 | 74 75 | 2.142.152.162.182.142.152.162.162.182.262.28 | |
11 | 2.17 | 17 | t | 2 | 68 69 | 2.142.152.162.162.172.182.182.152.152.162.162.162.182.182.192.242.25 | |
12 | 2.16 | 25 | td | 2 | 60 61 | 2.112.132.142.152.162.162.162.172.192.202.122.132.152.152.162.162.162.162.172.172.182.192.202.212.22 | |
13 | 2.16 | 11 | t | 2 | 62 63 | 2.132.162.162.172.202.122.152.162.162.162.19 | |
14 | 2.11 | 13 | dtd | 1 | 67 | 2.072.082.092.102.102.112.112.122.122.122.132.132.14 | |
15 | 2.03 | 16 | td | 2 | 72 73 | 2.012.032.032.042.052.052.061.921.952.022.032.032.032.052.052.06 | |
16 | 1.90 | 20 | dtd | 1 | 66 | 1.821.851.851.871.881.891.891.901.901.901.901.911.921.921.931.931.931.941.961.97 |
Experimental Conditions
Solvent: | D2O |
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Nucleus: | 1H |
Frequency: | 400 MHz |
Documentation
Document Description | Download | File Size |
---|---|---|
Peak List (TXT) | Download file | 178 Bytes |
Peak Assignments (TXT) | Download file | 178 Bytes |
Spectra Image with Peak Assignments | Not Available | Not Available |
Raw Spectrum Image | Not Available | Not Available |
nmrML File (NMRML) | Download file | 178 Bytes |
JCAMP-DX File (JDX) | Download file | 178 Bytes |
Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
Validation Report | Not Available | Not Available |
References
Not Available