| SpectraBase Spectrum ID |
KDehtFU4Lr7 |
| Name |
2-Fluorobenzoic acid, 2-formyl-4,6-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.975627645 u |
| Formula |
C14H7Cl2FO3 |
| InChI |
InChI=1S/C14H7Cl2FO3/c15-9-5-8(7-18)13(11(16)6-9)20-14(19)10-3-1-2-4-12(10)17/h1-7H |
| InChIKey |
KZJAUVYNQUZXRI-UHFFFAOYSA-N |
| Molecular Weight |
313.111 g/mol |
| SMILES |
C1(=CC=CC=C1C(=O)OC1=C(C=C(C=C1Cl)Cl)C=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86028 |
