| SpectraBase Spectrum ID |
EY5WU7P1q24 |
| Name |
m-(Trifluoromethyl)thiocarbanilic acid, 3-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.043519608 u |
| Formula |
C10H10F3NOS |
| InChI |
InChI=1S/C10H10F3NOS/c1-2-16-9(15)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15) |
| InChIKey |
OCQSOMJSZUEPPK-UHFFFAOYSA-N |
| Molecular Weight |
249.251 g/mol |
| SMILES |
N(C1=CC=CC(=C1)C(F)(F)F)C(SCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.809792 |
