| SpectraBase Compound ID | Bw8ev304gU6 |
|---|---|
| InChI | InChI=1S/C21H36/c1-20-13-6-3-4-9-18(20)17-11-10-16-8-5-7-14-21(16,2)19(17)12-15-20/h16-19H,3-15H2,1-2H3 |
| InChIKey | RSQHKDNNGPBYGW-UHFFFAOYSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C21H36 |
| Exact Mass | 288.281701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B47THi04t5V |
|---|---|
| Name | D,D-Dihomoandrostane, (5.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.281701159 u |
| Formula | C21H36 |
| InChI | InChI=1S/C21H36/c1-20-13-6-3-4-9-18(20)17-11-10-16-8-5-7-14-21(16,2)19(17)12-15-20/h16-19H,3-15H2,1-2H3 |
| InChIKey | RSQHKDNNGPBYGW-UHFFFAOYSA-N |
| SMILES | C12(CCCCCC2C2C(CC1)C1(C(CCCC1)CC2)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843777 |