| SpectraBase Spectrum ID |
149ZCDgL0Y0 |
| Name |
2-Cylcohexen-3-ol-1-one, 2-[S-phenylthioacetyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.066365482 u |
| Formula |
C14H14O3S |
| InChI |
InChI=1S/C14H14O3S/c15-11-7-4-8-12(16)13(11)14(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2 |
| InChIKey |
FSTSXENIWSOWCA-UHFFFAOYSA-N |
| SMILES |
C1CC(=C(C(C1)=O)C(SCC1=CC=CC=C1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964831 |
![2-Cylcohexen-3-ol-1-one, 2-[S-phenylthioacetyl]-](/api/spectrum/149ZCDgL0Y0/structure.png?h=300&w=458 "2-Cylcohexen-3-ol-1-one, 2-[S-phenylthioacetyl]-")
