1H NMR Spectrum (1D, 100 MHz, D2O, predicted) (NP0086620)
Spectrum Details
| NP-MRD ID: | NP0086620 |
|---|---|
| Compound name: | Coprocholic acid |
| 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 | 4.04 | 8 | dd | 1 | 57 | 3.894.014.024.024.034.074.094.15 | |
| 2 | 3.92 | 13 | ddd | 1 | 76 | 3.683.733.803.853.883.893.903.933.943.983.994.144.19 | |
| 3 | 3.46 | 34 | m | 1 | 69 | 3.053.073.143.163.183.213.233.273.293.303.323.323.363.383.443.453.463.473.523.533.553.553.603.613.623.633.663.673.693.713.753.773.843.86 | |
| 4 | 2.85 | 23 | ddd | 1 | 55 | 2.592.612.642.662.692.722.732.762.782.812.832.852.872.882.912.922.942.973.003.063.083.113.22 | |
| 5 | 2.49 | 36 | ddd | 1 | 74 | 2.102.142.182.182.202.222.242.272.312.402.402.412.422.422.432.442.482.492.502.512.522.532.542.562.562.612.612.632.642.662.712.762.782.842.902.92 | |
| 6 | 2.26 | 14 | m | 1 | 36 | 2.092.152.162.172.222.222.232.282.292.292.352.352.362.42 | |
| 7 | 2.09 | 13 | ddd | 1 | 54 | 1.841.861.942.052.072.082.112.152.162.172.192.222.27 | |
| 8 | 2.09 | 28 | ddd | 1 | 52 | 1.781.811.861.881.911.921.992.012.022.042.052.062.092.102.122.132.152.162.172.182.192.202.212.222.242.262.302.33 | |
| 9 | 2.07 | 38 | ddd | 1 | 47 | 1.771.801.801.881.891.901.911.921.951.961.971.981.992.002.012.032.042.062.082.092.102.112.132.142.152.162.182.202.202.212.232.232.252.262.262.322.332.34 | |
| 10 | 2.06 | 35 | m | 1 | 48 | 1.831.851.861.881.901.921.921.931.931.951.971.971.992.002.022.022.032.042.052.062.092.092.112.112.132.142.162.182.182.212.232.242.262.392.47 | |
| 11 | 2.04 | 17 | ddd | 1 | 66 | 1.861.861.891.931.971.981.992.022.052.062.072.102.112.132.152.222.27 | |
| 12 | 2.03 | 16 | m | 1 | 68 | 1.751.781.901.921.942.002.022.042.062.082.112.142.152.172.212.23 | |
| 13 | 1.99 | 45 | m | 1 | 50 | 1.661.711.741.751.771.791.791.801.821.831.841.851.871.881.901.911.911.921.931.961.961.971.992.002.012.012.022.042.052.062.092.092.102.122.122.132.152.162.182.212.242.292.302.312.35 | |
| 14 | 1.94 | 28 | ddd | 1 | 56 | 1.741.741.761.781.791.811.841.851.861.871.881.891.911.931.941.971.971.981.981.992.012.042.062.072.092.122.142.17 | |
| 15 | 1.82 | 37 | ddd | 1 | 53 | 1.511.561.581.611.631.661.661.681.691.711.721.741.761.771.781.791.791.801.821.831.841.851.871.881.891.921.931.941.961.961.981.992.012.022.052.072.10 | |
| 16 | 1.79 | 18 | ddd | 1 | 65 | 1.591.621.621.691.721.741.771.781.791.791.801.841.861.891.911.931.942.04 | |
| 17 | 1.78 | 25 | ddd | 1 | 75 | 1.551.561.581.601.611.621.671.671.681.691.711.721.731.741.751.801.811.841.851.861.902.042.102.122.17 | |
| 18 | 1.74 | 49 | m | 1 | 51 | 1.351.361.391.411.441.481.501.531.541.551.571.581.591.601.621.631.641.641.661.671.691.711.711.731.741.761.771.791.801.821.831.831.851.861.881.901.911.921.931.931.941.961.972.002.012.032.032.062.08 | |
| 19 | 1.72 | 34 | ddd | 2 | 71 72 | 1.581.621.621.641.661.691.711.711.721.741.781.871.912.041.471.501.511.521.561.621.631.671.681.701.711.751.771.781.791.801.811.921.921.96 | |
| 20 | 1.63 | 51 | m | 1 | 39 | 1.351.361.381.391.401.411.431.441.451.461.471.471.491.491.511.521.531.541.551.561.571.591.591.601.611.611.631.641.661.671.691.711.721.721.731.731.741.761.781.791.801.821.831.841.851.871.871.881.901.911.94 | |
| 21 | 1.57 | 76 | td | 2 | 37 38 | 1.311.321.351.361.401.411.411.431.441.451.461.471.481.501.521.521.531.551.561.571.581.581.591.601.631.641.641.661.671.681.691.711.721.731.741.751.761.791.801.801.821.941.951.271.321.331.371.411.431.451.461.471.491.501.521.521.531.531.551.561.561.571.591.591.601.621.631.641.641.661.671.681.691.721.751.83 | |
| 22 | 1.43 | 39 | m | 1 | 43 | 1.131.201.221.241.251.251.281.301.311.321.341.361.371.381.381.401.411.421.421.441.451.461.461.471.471.481.491.501.521.531.541.561.571.581.591.601.641.661.69 | |
| 23 | 1.42 | 26 | m | 1 | 73 | 1.191.231.261.301.301.321.351.361.381.391.401.421.421.431.441.451.481.501.521.521.541.541.551.571.581.60 | |
| 24 | 1.42 | 26 | m | 1 | 67 | 1.131.151.201.221.241.251.261.321.341.351.361.371.401.421.421.431.451.481.521.541.551.611.671.691.731.83 | |
| 25 | 1.39 | 110 | td | 2 | 41 42 | 0.991.021.031.081.101.111.131.141.161.171.191.201.221.231.241.261.261.271.281.311.311.321.321.331.341.361.371.371.381.391.401.411.421.431.441.461.481.491.501.511.531.541.551.581.601.621.631.641.641.681.701.721.741.771.801.821.851.881.071.091.101.121.121.151.191.191.201.211.221.231.251.261.271.281.301.301.311.321.321.331.341.351.361.361.371.371.381.391.401.411.411.421.431.441.451.451.461.461.471.481.491.501.511.531.551.571.581.601.621.67 | |
| 26 | 1.27 | 55 | m | 1 | 49 | 0.870.900.920.930.940.960.991.001.011.021.041.061.081.081.091.121.131.141.151.171.181.191.211.221.241.251.261.281.301.311.321.331.341.361.361.381.391.411.421.431.451.461.471.491.501.501.511.531.531.551.561.581.621.661.73 | |
| 27 | 1.18 | 57 | m | 1 | 40 | 0.840.850.870.880.890.910.920.920.930.950.960.980.991.001.011.021.041.051.061.081.111.131.141.151.161.171.181.201.211.231.241.261.261.271.281.291.291.291.301.301.321.331.331.341.341.351.361.371.381.391.401.421.441.461.471.481.51 | |
| 28 | 1.05 | 4 | q | 3 | 33 34 35 | 1.041.041.041.10 | |
| 29 | 0.97 | 52 | m | 3 | 44 45 46 | 0.830.850.870.870.940.940.960.970.981.001.061.071.081.101.110.830.840.850.870.880.930.940.950.960.970.980.991.001.061.071.071.081.100.780.830.840.860.880.940.940.950.960.970.980.991.001.001.061.071.071.111.16 | |
| 30 | 0.91 | 1 | s | 3 | 62 63 64 | 0.91 | |
| 31 | 0.71 | 1 | s | 3 | 59 60 61 | 0.71 | |
Experimental Conditions
| Solvent: | D2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 100 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 54.1 KB |
| Peak Assignments (TXT) | Download file | 1.34 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 645 KB |
| JCAMP-DX File (JDX) | Download file | 224 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available