| SpectraBase Spectrum ID |
EQuAFKvkOve |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.019526206 u |
| Formula |
C16H9ClF6O2 |
| InChI |
InChI=1S/C16H9ClF6O2/c1-8-6-10(17)3-5-13(8)25-14(24)11-7-9(15(18,19)20)2-4-12(11)16(21,22)23/h2-7H,1H3 |
| InChIKey |
PRRCJZVSHWUJFH-UHFFFAOYSA-N |
| Molecular Weight |
382.689 g/mol |
| SMILES |
C1(=CC=C(C(=C1)C)OC(C1=C(C(F)(F)F)C=CC(=C1)C(F)(F)F)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855349 |
