| SpectraBase Spectrum ID |
6WEWtpmbBGm |
| Name |
Phthalic acid, 4-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/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h1-13H |
| InChIKey |
AMFAXMJZLGAWCE-UHFFFAOYSA-N |
| Molecular Weight |
352.773 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944556 |
