| SpectraBase Spectrum ID |
LLAI3izTA7r |
| Name |
Pregn-17(20)-en-16-one, (5.alpha.,17E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.245315649 u |
| Formula |
C21H32O |
| InChI |
InChI=1S/C21H32O/c1-4-16-19(22)13-18-15-9-8-14-7-5-6-11-20(14,2)17(15)10-12-21(16,18)3/h4,14-15,17-18H,5-13H2,1-3H3/b16-4- |
| InChIKey |
CVSFVOBAQUNCEZ-XRVIQIRUSA-N |
| SMILES |
C\C=C\1C(=O)CC2C3CCC4CCCCC4(C)C3CCC12C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931219 |
