| SpectraBase Spectrum ID |
38qiviByYny |
| Name |
4-(Trifluoromethoxy)benzyl mercaptan, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.999269583 u |
| Formula |
C10H6F6O2S |
| InChI |
InChI=1S/C10H6F6O2S/c11-9(12,13)8(17)19-5-6-1-3-7(4-2-6)18-10(14,15)16/h1-4H,5H2 |
| InChIKey |
CNPKXQVLMOFWHM-UHFFFAOYSA-N |
| Molecular Weight |
304.206 g/mol |
| SMILES |
C(F)(F)(F)OC1=CC=C(C=C1)CSC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879276 |
