| SpectraBase Spectrum ID |
CGv0W2KUDze |
| Name |
5.alpha.-Androst-3-ene-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.214015521 u |
| Formula |
C19H28O |
| InChI |
InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3 |
| InChIKey |
RJWNCDOWHNLVPF-UHFFFAOYSA-N |
| Molecular Weight |
272.432 g/mol |
| SMILES |
C12(C(C3C(C4(CCC=CC4CC3)C)CC2)CCC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919853 |
