SpectraBase Spectrum ID |
9l4q5ZyNqLh |
Name |
2,6-Difluorobenzoic 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 |
301.971291157 u |
Formula |
C13H6Cl2F2O2 |
InChI |
InChI=1S/C13H6Cl2F2O2/c14-8-5-4-7(6-9(8)15)19-13(18)12-10(16)2-1-3-11(12)17/h1-6H |
InChIKey |
WTRLNMSFFKRURF-UHFFFAOYSA-N |
Molecular Weight |
303.092 g/mol |
SMILES |
C1=CC=C(C(=C1F)C(OC1=CC(=C(C=C1)Cl)Cl)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95745 |