| Record Information |
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| Version | 1.0 |
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| Created at | 2023-04-11 00:00:00 UTC |
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| Updated at | 2023-04-11 00:00:00 UTC |
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| RI-Pred ID | RI00001127 |
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|
| Compound Identification |
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| Common Name | Taurocholic acid,1TMS,isomer#2 |
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| Structure | |
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| Average Molecular Weight | 587.3312 |
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| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O |
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| Physical Properties |
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| Predicted Properties | | Property | Value | Reference |
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| Retention Index | 4303.315 |
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| References |
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| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
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