| SpectraBase Spectrum ID |
F7XxeCcEWaT |
| Name |
Ethyl 3-amino-5-(trifluoromethyl)benzoate |
| 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)6-3-7(10(11,12)13)5-8(14)4-6/h3-5H,2,14H2,1H3 |
| InChIKey |
VRDSJRSCKTXBNB-UHFFFAOYSA-N |
| Molecular Weight |
233.190 g/mol |
| SMILES |
C(C=1C=C(C=C(C1)C(F)(F)F)N)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952187 |
