| SpectraBase Spectrum ID |
GE0kd3eQgMO |
| Name |
(2'-Chloro)-2-benzoyl-3-fluoro-benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.045900106 u |
| Formula |
C16H12ClFO3 |
| InChI |
InChI=1S/C16H12ClFO3/c1-2-21-16(20)11-7-5-9-13(18)14(11)15(19)10-6-3-4-8-12(10)17/h3-9H,2H2,1H3 |
| InChIKey |
NZVIABYLQGNWOD-UHFFFAOYSA-N |
| Molecular Weight |
306.720 g/mol |
| SMILES |
C=1(C(=O)C2=C(C=CC=C2)Cl)C(=CC=CC1F)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812857 |
