| SpectraBase Spectrum ID |
BsVBipRGn5d |
| Name |
2,4-Dimethyl-5-phenylthiohex-4-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.123486437 u |
| Formula |
C14H20OS |
| InChI |
InChI=1S/C14H20OS/c1-11(10-14(3,4)15)12(2)16-13-8-6-5-7-9-13/h5-9,15H,10H2,1-4H3/b12-11- |
| InChIKey |
NSMTWYVKVKEUNP-QXMHVHEDSA-N |
| Molecular Weight |
236.373 g/mol |
| SMILES |
C(\C(=C\(SC=1C=CC=CC1)C)C)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923679 |
