SpectraBase Spectrum ID |
HuAzV8oS8pu |
Name |
5-Fluoro-2-trifluoromethylbenzoic acid, 4-nitrophenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.031120357 u |
Formula |
C14H7F4NO4 |
InChI |
InChI=1S/C14H7F4NO4/c15-8-1-6-12(14(16,17)18)11(7-8)13(20)23-10-4-2-9(3-5-10)19(21)22/h1-7H |
InChIKey |
WUWIYFKSVRDHOU-UHFFFAOYSA-N |
Molecular Weight |
329.207 g/mol |
SMILES |
C1(=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC(=C1)F)=O)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917206 |