| SpectraBase Compound ID | 1Wkhz8BZNTK |
|---|---|
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-22-18-27(30)26-10-8-9-16-28(26,5)25(22)15-17-29(23,24)6/h8,10,19-27,30H,7,9,11-18H2,1-6H3 |
| InChIKey | SJWYTKHMIBTYMK-UHFFFAOYSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CALigb6wtqb |
|---|---|
| Name | Stigmastan-3-en-6-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.386166229 u |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-22-18-27(30)26-10-8-9-16-28(26,5)25(22)15-17-29(23,24)6/h8,10,19-27,30H,7,9,11-18H2,1-6H3 |
| InChIKey | SJWYTKHMIBTYMK-UHFFFAOYSA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | C=1CCC2(C(C1)C(CC1C2CCC2(C1CCC2C(C)CCC(CC)C(C)C)C)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934712 |