| SpectraBase Compound ID | DQuQda1GUEy |
|---|---|
| InChI | InChI=1S/C29H50/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h10,20-22,24-27H,7-9,11-19H2,1-6H3/t21-,22?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | ZSVRPDBXYPRGOY-WFSFLELISA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C29H50 |
| Exact Mass | 398.391252 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 35x7DXoK1OG |
|---|---|
| Name | 24 - Ethyl - cholest - 4 - ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.391251610 u |
| Formula | C29H50 |
| InChI | InChI=1S/C29H50/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h10,20-22,24-27H,7-9,11-19H2,1-6H3/t21-,22?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | ZSVRPDBXYPRGOY-WFSFLELISA-N |
| Molecular Weight | 398.719 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](CCC(C(C)C)CC)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936786 |