| SpectraBase Spectrum ID |
5uosguVyTH1 |
| Name |
Benzenesulfonyl(4-trifluoromethylphenyl)acetic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.064314622 u |
| Formula |
C17H15F3O4S |
| InChI |
InChI=1S/C17H15F3O4S/c1-2-24-16(21)15(25(22,23)14-6-4-3-5-7-14)12-8-10-13(11-9-12)17(18,19)20/h3-11,15H,2H2,1H3 |
| InChIKey |
JYPYBYPOXVSJBX-UHFFFAOYSA-N |
| Molecular Weight |
372.358 g/mol |
| SMILES |
C1=CC(=CC=C1C(C(OCC)=O)S(C1=CC=CC=C1)(=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878643 |
