| SpectraBase Spectrum ID |
9NSmRnstqgd |
| Name |
2-Chlorobenzenemethanethiol, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.977998175 u |
| Formula |
C9H6ClF3OS |
| InChI |
InChI=1S/C9H6ClF3OS/c10-7-4-2-1-3-6(7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey |
RUWUSUVGQQTNEO-UHFFFAOYSA-N |
| Molecular Weight |
254.654 g/mol |
| SMILES |
C(SC(C(F)(F)F)=O)C1=C(C=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84923 |
