| SpectraBase Spectrum ID |
3fCM8Zqu99E |
| Name |
3-Chloro-2-fluorobenzoic acid, 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.066635552 u |
| Formula |
C16H14ClFO2 |
| InChI |
InChI=1S/C16H14ClFO2/c1-2-6-11-7-3-4-10-14(11)20-16(19)12-8-5-9-13(17)15(12)18/h3-5,7-10H,2,6H2,1H3 |
| InChIKey |
ZFJBUZDFPACSNX-UHFFFAOYSA-N |
| Molecular Weight |
292.737 g/mol |
| SMILES |
C1=C(C(=C(C=C1)Cl)F)C(=O)OC1=CC=CC=C1CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848506 |
