| SpectraBase Compound ID | FzVe5QFv4FB |
|---|---|
| InChI | InChI=1S/C27H42/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,9,11-12,20,22-25H,7-8,10,13-18H2,1-5H3 |
| InChIKey | ZQSVOQVTXYGMNO-UHFFFAOYSA-N |
| Mol Weight | 366.6 g/mol |
| Molecular Formula | C27H42 |
| Exact Mass | 366.328651 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B3R5KgNfvqB |
|---|---|
| Name | Coprostan-3,5,24-trien |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.328651352 u |
| Formula | C27H42 |
| InChI | InChI=1S/C27H42/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,9,11-12,20,22-25H,7-8,10,13-18H2,1-5H3 |
| InChIKey | ZQSVOQVTXYGMNO-UHFFFAOYSA-N |
| Molecular Weight | 366.633 g/mol |
| SMILES | C=1CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(CCC=C(C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841935 |