| SpectraBase Spectrum ID |
6gMoQQ7uRNp |
| Name |
2-(Trifluoromethyl)benzyl mercaptan, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.004354964 u |
| Formula |
C10H6F6OS |
| InChI |
InChI=1S/C10H6F6OS/c11-9(12,13)7-4-2-1-3-6(7)5-18-8(17)10(14,15)16/h1-4H,5H2 |
| InChIKey |
ZALVRCCAFTVXOK-UHFFFAOYSA-N |
| Molecular Weight |
288.207 g/mol |
| SMILES |
C(F)(F)(F)C1=C(C=CC=C1)CSC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946613 |
