| SpectraBase Spectrum ID |
HAMu6kqp8EG |
| Name |
4-Trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.977519352 u |
| Formula |
C14H7Cl2F3O2 |
| InChI |
InChI=1S/C14H7Cl2F3O2/c15-10-2-1-3-11(12(10)16)21-13(20)8-4-6-9(7-5-8)14(17,18)19/h1-7H |
| InChIKey |
HLQWUAWXXUBMFT-UHFFFAOYSA-N |
| Molecular Weight |
335.109 g/mol |
| SMILES |
C1(=C(C=CC=C1OC(=O)C1=CC=C(C(F)(F)F)C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944775 |
