| SpectraBase Spectrum ID |
L1ByIfIlFFl |
| Name |
2-(Trifluoromethoxy)thiophenol , S-ethoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.022449810 u |
| Formula |
C10H9F3O3S |
| InChI |
InChI=1S/C10H9F3O3S/c1-2-15-9(14)17-8-6-4-3-5-7(8)16-10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey |
DYGYZIPFZULZKC-UHFFFAOYSA-N |
| Molecular Weight |
266.234 g/mol |
| SMILES |
C1(=CC=CC=C1SC(OCC)=O)OC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936476 |
