| SpectraBase Spectrum ID |
39V68Ju2iCP |
| Name |
3-Fluorobenzoic 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 |
283.980713026 u |
| Formula |
C13H7Cl2FO2 |
| InChI |
InChI=1S/C13H7Cl2FO2/c14-11-5-4-10(7-12(11)15)18-13(17)8-2-1-3-9(16)6-8/h1-7H |
| InChIKey |
GZSRWOJGJRZBJS-UHFFFAOYSA-N |
| Molecular Weight |
285.101 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC1=CC(=C(C=C1)Cl)Cl)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931036 |
