| SpectraBase Spectrum ID |
9MX2mUpBJU5 |
| Name |
3-Trifluoromethylbenzoic acid, 2-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.016491685 u |
| Formula |
C14H8ClF3O2 |
| InChI |
InChI=1S/C14H8ClF3O2/c15-11-6-1-2-7-12(11)20-13(19)9-4-3-5-10(8-9)14(16,17)18/h1-8H |
| InChIKey |
UIXMNJGJJOLSHZ-UHFFFAOYSA-N |
| Molecular Weight |
300.664 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC1=CC=CC=C1Cl)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947604 |
