| SpectraBase Spectrum ID |
ASk0XBlurNG |
| Name |
m-(Trifluoromethyl)carbanilic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.066363053 u |
| Formula |
C10H10F3NO2 |
| InChI |
InChI=1S/C10H10F3NO2/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 |
PMUYMIHQAGLXJY-UHFFFAOYSA-N |
| Molecular Weight |
233.190 g/mol |
| SMILES |
N(C(=O)OCC)C1=CC(=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.903872 |
