| SpectraBase Spectrum ID |
AXf64aq32ke |
| Name |
3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.968097483 u |
| Formula |
C14H6Cl2F4O2 |
| InChI |
InChI=1S/C14H6Cl2F4O2/c15-11-2-1-10(6-12(11)16)22-13(21)7-3-8(14(18,19)20)5-9(17)4-7/h1-6H |
| InChIKey |
IEABJSFGEWOABI-UHFFFAOYSA-N |
| Molecular Weight |
353.100 g/mol |
| SMILES |
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC1=CC(=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907473 |
