| SpectraBase Spectrum ID |
DfRe6zBSpuV |
| Name |
3-Fluorobenzyl mercaptan, S-pentafluoropropionyl- |
| 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/c11-7-3-1-2-6(4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2 |
| InChIKey |
AWIWXSYTWAIASU-UHFFFAOYSA-N |
| Molecular Weight |
288.207 g/mol |
| SMILES |
C1(F)=CC(=CC=C1)CSC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907782 |
