| SpectraBase Spectrum ID |
HFmCntRCw2e |
| Name |
5.alpha.-Cholestan-6-one, cyclic ethylene mercaptole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.335393958 u |
| Formula |
C29H50S2 |
| InChI |
InChI=1S/C29H50S2/c1-20(2)9-8-10-21(3)23-12-13-24-22-19-29(30-17-18-31-29)26-11-6-7-15-28(26,5)25(22)14-16-27(23,24)4/h20-26H,6-19H2,1-5H3 |
| InChIKey |
JDSZAEGZNJDHFY-UHFFFAOYSA-N |
| Molecular Weight |
462.839 g/mol |
| SMILES |
CC12C(C3(CC4C2CCC2(C4CCC2C(CCCC(C)C)C)C)SCCS3)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863852 |
