1H NMR Spectrum (1D, 100 MHz, D2O, predicted) (NP0044528)
Spectrum Details
| NP-MRD ID: | NP0044528 |
|---|---|
| Compound name: | gamma-Linolenoyl-CoA |
| Spectrum type: | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) |
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| Peak Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. H's | Atom No. | Peak Centers (ppm) | |
| 1 | 8.49 | 1 | s | 2 | 123 126 | 8.49 | |
| 2 | 5.97 | 2 | d | 1 | 122 | 5.965.98 | |
| 3 | 5.21 | 31 | dt | 2 | 87 88 | 5.065.085.125.135.165.175.205.235.235.255.275.295.315.345.365.055.065.125.135.165.175.185.205.235.235.255.275.295.315.345.36 | |
| 4 | 5.20 | 19 | dt | 2 | 83 84 | 5.135.295.315.055.065.095.125.135.165.175.185.205.235.235.255.275.295.345.36 | |
| 5 | 5.20 | 9 | dt | 1 | 80 | 5.085.135.155.195.205.225.265.275.33 | |
| 6 | 4.37 | 4 | dd | 1 | 127 | 4.334.354.394.41 | |
| 7 | 4.25 | 5 | dd | 2 | 119 120 | 4.244.194.244.264.31 | |
| 8 | 4.19 | 2 | d | 2 | 115 116 | 4.164.22 | |
| 9 | 3.86 | 8 | ddd | 1 | 129 | 3.743.803.813.843.873.903.913.97 | |
| 10 | 3.48 | 6 | dt | 1 | 121 | 3.383.433.483.483.533.58 | |
| 11 | 3.47 | 5 | t | 2 | 99 100 | 3.413.413.473.533.54 | |
| 12 | 3.19 | 7 | t | 2 | 104 105 | 3.143.133.143.203.203.273.27 | |
| 13 | 2.86 | 8 | dt | 1 | 97 | 2.742.802.802.862.872.922.932.99 | |
| 14 | 2.86 | 1 | s | 1 | 107 | 2.86 | |
| 15 | 2.60 | 20 | dt | 1 | 82 | 2.372.442.452.482.502.522.552.572.592.602.612.622.642.672.682.692.712.742.752.82 | |
| 16 | 2.59 | 13 | t | 2 | 95 96 | 2.522.522.642.652.402.522.522.582.592.642.652.652.82 | |
| 17 | 2.59 | 26 | dt | 1 | 85 | 2.282.362.392.412.432.452.472.502.522.542.562.592.592.602.622.642.642.662.682.692.712.732.752.772.792.82 | |
| 18 | 2.28 | 19 | dt | 1 | 81 | 2.052.122.142.162.182.202.212.232.262.272.282.312.332.352.382.402.422.442.51 | |
| 19 | 2.26 | 8 | t | 2 | 102 103 | 2.312.322.182.182.252.252.312.32 | |
| 20 | 2.25 | 7 | dt | 1 | 98 | 2.122.182.242.252.302.312.37 | |
| 21 | 2.19 | 9 | ddt | 1 | 77 | 2.042.102.112.122.172.192.252.312.38 | |
| 22 | 2.17 | 25 | dt | 1 | 86 | 1.931.951.972.002.012.042.062.082.112.132.142.162.182.202.212.232.252.252.272.302.312.342.362.382.47 | |
| 23 | 2.13 | 13 | dt | 2 | 89 90 | 2.022.092.311.892.022.022.092.092.152.222.232.282.31 | |
| 24 | 2.13 | 12 | ddt | 1 | 78 | 1.911.971.982.042.102.112.172.182.232.232.302.37 | |
| 25 | 1.62 | 39 | tt | 2 | 93 94 | 1.301.301.331.461.471.521.531.551.591.611.651.661.671.781.841.901.911.971.981.461.471.481.521.531.541.541.551.591.591.601.611.651.651.661.671.721.731.841.91 | |
| 26 | 1.57 | 35 | m | 1 | 75 | 1.221.251.301.341.361.371.381.391.401.411.421.431.431.451.471.471.501.531.531.551.551.571.591.611.621.651.671.731.781.931.982.002.012.042.15 | |
| 27 | 1.53 | 38 | m | 1 | 76 | 1.211.221.241.271.281.291.311.321.331.351.371.371.391.391.411.431.471.481.491.511.521.531.531.541.581.591.601.611.651.661.671.721.801.841.861.932.112.18 | |
| 28 | 1.35 | 36 | m | 1 | 73 | 1.101.141.171.201.201.221.221.231.241.251.261.281.291.301.311.331.341.351.361.371.381.401.401.411.431.441.441.461.461.471.501.511.531.531.561.57 | |
| 29 | 1.34 | 32 | tt | 2 | 91 92 | 1.221.301.301.351.361.371.371.381.411.421.431.441.571.161.181.221.221.241.241.281.301.301.311.351.361.361.371.381.411.421.421.44 | |
| 30 | 1.30 | 64 | m | 2 | 71 72 | 1.111.131.161.161.181.201.201.221.231.241.251.251.271.271.281.291.311.311.321.341.351.361.381.381.401.411.431.441.461.481.490.951.011.061.111.131.161.181.201.201.231.241.251.251.271.271.291.311.321.341.351.351.361.371.381.381.401.411.431.441.461.481.491.51 | |
| 31 | 1.28 | 30 | m | 1 | 74 | 1.061.101.121.131.161.171.181.181.191.201.201.221.241.261.271.281.291.311.321.341.341.361.371.391.411.421.461.491.511.57 | |
| 32 | 1.27 | 8 | dt | 1 | 79 | 1.141.211.211.251.281.321.321.39 | |
| 33 | 0.97 | 1 | s | 6 | 109 110 111 112 113 114 | 0.97 | |
| 34 | 0.87 | 58 | t | 3 | 68 69 70 | 0.690.710.770.780.790.800.830.840.860.890.910.921.011.031.041.100.690.730.770.790.800.830.840.840.890.920.920.991.011.050.660.690.710.730.770.790.790.800.800.830.840.850.860.870.890.890.900.910.920.920.930.991.001.011.031.051.051.09 | |
Experimental Conditions
| Solvent: | D2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 100 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 36.4 KB |
| Peak Assignments (TXT) | Download file | 2.05 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 617 KB |
| JCAMP-DX File (JDX) | Download file | 209 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available