| SpectraBase Spectrum ID |
AO0bwKvfOmn |
| Name |
Phthalic acid, 3-chlorophenyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.050236595 u |
| Formula |
C20H13ClO4 |
| InChI |
InChI=1S/C20H13ClO4/c21-14-7-6-10-16(13-14)25-20(23)18-12-5-4-11-17(18)19(22)24-15-8-2-1-3-9-15/h1-13H |
| InChIKey |
RSZVOFLKDMIJCF-UHFFFAOYSA-N |
| Molecular Weight |
352.773 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=CC(=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888442 |
