| SpectraBase Compound ID | 2C58RUcJoye |
|---|---|
| InChI | InChI=1S/C9H7F3OS/c1-6-4-2-3-5-7(6)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | WNTKIPGLHLSPHI-UHFFFAOYSA-N |
| Mol Weight | 220.21 g/mol |
| Molecular Formula | C9H7F3OS |
| Exact Mass | 220.016971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3SJcnpnKQOq |
|---|---|
| Name | 2-Methylbenzenethiol, S-trifluoroacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.016970507 u |
| Formula | C9H7F3OS |
| InChI | InChI=1S/C9H7F3OS/c1-6-4-2-3-5-7(6)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | WNTKIPGLHLSPHI-UHFFFAOYSA-N |
| Molecular Weight | 220.209 g/mol |
| SMILES | C1(=CC=CC=C1SC(C(F)(F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858153 |