| SpectraBase Spectrum ID |
C43ht3fq7ki |
| Name |
3-Fluoro-4-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/c15-12-7-8(1-6-11(12)14(16,17)18)13(20)23-10-4-2-9(3-5-10)19(21)22/h1-7H |
| InChIKey |
URLFJWXOINMPNN-UHFFFAOYSA-N |
| Molecular Weight |
329.207 g/mol |
| SMILES |
C1=C(C=CC(=C1F)C(F)(F)F)C(=O)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855563 |
