| SpectraBase Spectrum ID |
KPX6sVJ1pld |
| Name |
4-(Trifluoromethoxy)benzyl mercaptan, S-trimethylacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.074485384 u |
| Formula |
C13H15F3O2S |
| InChI |
InChI=1S/C13H15F3O2S/c1-12(2,3)11(17)19-8-9-4-6-10(7-5-9)18-13(14,15)16/h4-7H,8H2,1-3H3 |
| InChIKey |
NWWKZDONSAIUFD-UHFFFAOYSA-N |
| Molecular Weight |
292.316 g/mol |
| SMILES |
C(F)(F)(F)OC1=CC=C(C=C1)CSC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875534 |
