SpectraBase Spectrum ID |
HsjPxorJwM4 |
Name |
Methyl 2-(2-oxo-2-{[4-(trifluoromethyl)phenyl]amino}ethoxy)benzoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.087492420 u |
Formula |
C17H14F3NO4 |
InChI |
InChI=1S/C17H14F3NO4/c1-24-16(23)13-4-2-3-5-14(13)25-10-15(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22) |
InChIKey |
UVIYLQMLPWZNIB-UHFFFAOYSA-N |
Molecular Weight |
353.297 g/mol |
SMILES |
COC(=O)C=1C(OCC(NC2=CC=C(C(F)(F)F)C=C2)=O)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935286 |