| SpectraBase Spectrum ID |
Jbkcny6R1Bu |
| Name |
3-Acetoxyandrost-5-en-17-one, 16,16-propylenedithio- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.194937300 u |
| Formula |
C24H34O3S2 |
| InChI |
InChI=1S/C24H34O3S2/c1-15(25)27-17-7-9-22(2)16(13-17)5-6-18-19(22)8-10-23(3)20(18)14-24(21(23)26)28-11-4-12-29-24/h5,17-20H,4,6-14H2,1-3H3 |
| InChIKey |
JCKBDUJZOGDRLM-UHFFFAOYSA-N |
| Molecular Weight |
434.653 g/mol |
| SMILES |
CC(OC1CC2=CCC3C4C(C)(C(=O)C5(C4)SCCCS5)CCC3C2(C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910501 |
