| SpectraBase Spectrum ID |
5WczxWjz2SF |
| Name |
2-(Trifluoromethoxy)thiophenol , S-methoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.006799745 u |
| Formula |
C9H7F3O3S |
| InChI |
InChI=1S/C9H7F3O3S/c1-14-8(13)16-7-5-3-2-4-6(7)15-9(10,11)12/h2-5H,1H3 |
| InChIKey |
SFZNWIDDPVYGJV-UHFFFAOYSA-N |
| Molecular Weight |
252.207 g/mol |
| SMILES |
C1(=CC=CC=C1SC(OC)=O)OC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950298 |
