| SpectraBase Spectrum ID |
2HH5tEYCdth |
| Name |
Benzoic acid, 2,4-dichloro-, 4-fluorophenyl 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/c14-8-1-6-11(12(15)7-8)13(17)18-10-4-2-9(16)3-5-10/h1-7H |
| InChIKey |
LHJCKQOWRZMWEK-UHFFFAOYSA-N |
| Molecular Weight |
285.101 g/mol |
| SMILES |
C1(C(OC=2C=CC(=CC2)F)=O)=C(C=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933104 |
