| SpectraBase Spectrum ID |
DioBOkGkEvc |
| Name |
3-Chloro-2-fluorobenzoic acid, 4-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.050985487 u |
| Formula |
C19H12ClFO2 |
| InChI |
InChI=1S/C19H12ClFO2/c20-17-8-4-7-16(18(17)21)19(22)23-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H |
| InChIKey |
PGZLCISTDBEQPY-UHFFFAOYSA-N |
| Molecular Weight |
326.754 g/mol |
| SMILES |
C1=C(C(=C(C=C1)Cl)F)C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865022 |
