| SpectraBase Spectrum ID |
DNHVE01XdBP |
| Name |
9.beta.-(Benzylthio)-10.alpha.-hydroxy-1,4,5,8,9,10-hexahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.123486437 u |
| Formula |
C17H20OS |
| InChI |
InChI=1S/C17H20OS/c18-16-10-4-6-12-17(16,13-7-5-11-16)19-14-15-8-2-1-3-9-15/h1-9,18H,10-14H2/t16-,17- |
| InChIKey |
LLVHQVWJPUQXRX-QAQDUYKDSA-N |
| Molecular Weight |
272.406 g/mol |
| SMILES |
[C@]12([C@@](O)(CC=CC2)CC=CC1)SCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946449 |
