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Phthalic acid, 2-chlorophenyl phenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 2-chlorophenyl phenyl ester
SpectraBase Compound ID Bi2JaerVjLr
InChI InChI=1S/C20H13ClO4/c21-17-12-6-7-13-18(17)25-20(23)16-11-5-4-10-15(16)19(22)24-14-8-2-1-3-9-14/h1-13H
InChIKey DFLYDCMNWZITAY-UHFFFAOYSA-N
Mol Weight 352.77 g/mol
Molecular Formula C20H13ClO4
Exact Mass 352.050237 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Y5LLBtNmT4
Name Phthalic acid, 2-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/c21-17-12-6-7-13-18(17)25-20(23)16-11-5-4-10-15(16)19(22)24-14-8-2-1-3-9-14/h1-13H
InChIKey DFLYDCMNWZITAY-UHFFFAOYSA-N
Molecular Weight 352.773 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=CC=C1Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944322