| SpectraBase Spectrum ID |
1IebCPgMVtM |
| Name |
3-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/c15-10-4-9(7-18)13(12(16)6-10)20-14(19)8-2-1-3-11(17)5-8/h1-7H |
| InChIKey |
KEHJWPHKQINMIE-UHFFFAOYSA-N |
| Molecular Weight |
313.111 g/mol |
| SMILES |
C1(=C(C=C(C=C1C=O)Cl)Cl)OC(=O)C1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827419 |
