| SpectraBase Spectrum ID |
6ybgDsoI8Ka |
| Name |
17-oxo-4-Propyl-3,4-seco-4-androsten-3-oic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-5-6-7-16-8-9-17-18-10-11-20(24)23(18,3)14-12-19(17)22(16,2)15-13-21(25)26-4/h7,17-19H,5-6,8-15H2,1-4H3/b16-7+ |
| InChIKey |
BPCJAURQJCCUMV-FRKPEAEDSA-N |
| Molecular Weight |
360.538 g/mol |
| SMILES |
C(CCC1(\C(=C\CCC)CCC2C1CCC1(C2CCC1=O)C)C)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97786 |
