| SpectraBase Spectrum ID |
2GPGH6AFzuL |
| Name |
4-Trifluoromethylbenzyl mercaptan, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.001161290 u |
| Formula |
C11H6F8OS |
| InChI |
InChI=1S/C11H6F8OS/c12-9(13,11(17,18)19)8(20)21-5-6-1-3-7(4-2-6)10(14,15)16/h1-4H,5H2 |
| InChIKey |
PRVMNTFZTRHDSQ-UHFFFAOYSA-N |
| Molecular Weight |
338.215 g/mol |
| SMILES |
C(F)(F)(F)C1=CC=C(C=C1)CSC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889024 |
