| SpectraBase Spectrum ID |
H2GBecPMH2v |
| Name |
o-Toluic acid, 4-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.044757292 u |
| Formula |
C14H11ClO2 |
| InChI |
InChI=1S/C14H11ClO2/c1-10-4-2-3-5-13(10)14(16)17-12-8-6-11(15)7-9-12/h2-9H,1H3 |
| InChIKey |
GINBDDAROBWNDR-UHFFFAOYSA-N |
| Molecular Weight |
246.693 g/mol |
| SMILES |
C1=CC=CC(=C1C)C(OC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858865 |
