| SpectraBase Spectrum ID |
51s9RCyxfsG |
| Name |
3-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 |
291.050712989 u |
| Formula |
C15H8F3NO2 |
| InChI |
InChI=1S/C15H8F3NO2/c16-15(17,18)12-3-1-2-11(8-12)14(20)21-13-6-4-10(9-19)5-7-13/h1-8H |
| InChIKey |
QMHXNDKFGOVRPY-UHFFFAOYSA-N |
| Molecular Weight |
291.229 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC1=CC=C(C#N)C=C1)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907298 |
