| SpectraBase Spectrum ID |
4a27CzRy78W |
| Name |
3-Fluoro-5-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/c15-10-6-8(5-9(7-10)14(16,17)18)13(20)23-12-3-1-11(2-4-12)19(21)22/h1-7H |
| InChIKey |
QTLNOZSGHDQFBP-UHFFFAOYSA-N |
| Molecular Weight |
329.207 g/mol |
| SMILES |
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95378 |
