| 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 | RI01721742 |
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|
| Compound Identification |
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| Common Name | Ibrexafungerp ,2TMS,isomer#2 |
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| Structure | |
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| Average Molecular Weight | 873.5984 |
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| SMILES | CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O |
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| Physical Properties |
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| Predicted Properties | | Property | Value | Reference |
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| Retention Index | 5447.046 |
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| References |
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| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
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