| SpectraBase Spectrum ID |
CX7Gx9g7YBG |
| Name |
3-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 |
311.040542227 u |
| Formula |
C14H8F3NO4 |
| InChI |
InChI=1S/C14H8F3NO4/c15-14(16,17)10-3-1-2-9(8-10)13(19)22-12-6-4-11(5-7-12)18(20)21/h1-8H |
| InChIKey |
MPDUMTCMFAHNSU-UHFFFAOYSA-N |
| Molecular Weight |
311.216 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918329 |
