| SpectraBase Compound ID | 5m4zjnvPCkF |
|---|---|
| InChI | InChI=1S/C21H34/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4,15-19H,1,5-14H2,2-3H3/t15?,16-,17+,18+,19+,20+,21-/m1/s1 |
| InChIKey | VZRAKVPDZIQRGT-XFNFOBRPSA-N |
| Mol Weight | 286.5 g/mol |
| Molecular Formula | C21H34 |
| Exact Mass | 286.266051 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2rRqJb1JzsL |
|---|---|
| Name | 17-Ethenyl-5.alpha.-androstane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.266051095 u |
| Formula | C21H34 |
| InChI | InChI=1S/C21H34/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4,15-19H,1,5-14H2,2-3H3/t15?,16-,17+,18+,19+,20+,21-/m1/s1 |
| InChIKey | VZRAKVPDZIQRGT-XFNFOBRPSA-N |
| SMILES | C1CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CCC([C@@]3(C)CC[C@]21[H])C=C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826051 |