| SpectraBase Spectrum ID |
BU0lV6L2Eme |
| Name |
3-Fluoro-5-trifluoromethylbenzoic acid, 2,4-dichloro-6-formylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.963012102 u |
| Formula |
C15H6Cl2F4O3 |
| InChI |
InChI=1S/C15H6Cl2F4O3/c16-10-2-8(6-22)13(12(17)5-10)24-14(23)7-1-9(15(19,20)21)4-11(18)3-7/h1-6H |
| InChIKey |
CIQBMLCHTUIDJO-UHFFFAOYSA-N |
| Molecular Weight |
381.110 g/mol |
| SMILES |
C1(=CC(C=O)=C(C(=C1)Cl)OC(=O)C1=CC(=CC(=C1)C(F)(F)F)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841283 |
