| SpectraBase Spectrum ID |
5e2SpZlDZ4P |
| Name |
5-Fluoro-2-trifluoromethylbenzoic acid, 4-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.041291119 u |
| Formula |
C15H7F4NO2 |
| InChI |
InChI=1S/C15H7F4NO2/c16-10-3-6-13(15(17,18)19)12(7-10)14(21)22-11-4-1-9(8-20)2-5-11/h1-7H |
| InChIKey |
YXLUOUCSWZWZRV-UHFFFAOYSA-N |
| Molecular Weight |
309.220 g/mol |
| SMILES |
C(C1=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC(=C1)F)=O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943836 |
