| SpectraBase Spectrum ID |
6hCkCt3zTTp |
| Name |
Phthalic acid, 4-chloro-3-methylphenyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.065886659 u |
| Formula |
C21H15ClO4 |
| InChI |
InChI=1S/C21H15ClO4/c1-14-13-16(11-12-19(14)22)26-21(24)18-10-6-5-9-17(18)20(23)25-15-7-3-2-4-8-15/h2-13H,1H3 |
| InChIKey |
WPVLHYSCIKVUEO-UHFFFAOYSA-N |
| Molecular Weight |
366.800 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=C(C(=C1)C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820748 |
