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Phthalic acid, 2-methylphenyl phenyl ester

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

Phthalic acid, 2-methylphenyl phenyl ester
SpectraBase Compound ID ER5BMIephTH
InChI InChI=1S/C21H16O4/c1-15-9-5-8-14-19(15)25-21(23)18-13-7-6-12-17(18)20(22)24-16-10-3-2-4-11-16/h2-14H,1H3
InChIKey LYTNTSJWQPTFNL-UHFFFAOYSA-N
Mol Weight 332.36 g/mol
Molecular Formula C21H16O4
Exact Mass 332.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmcFcOZyQ0B
Name Phthalic acid, 2-methylphenyl phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.104858991 u
Formula C21H16O4
InChI InChI=1S/C21H16O4/c1-15-9-5-8-14-19(15)25-21(23)18-13-7-6-12-17(18)20(22)24-16-10-3-2-4-11-16/h2-14H,1H3
InChIKey LYTNTSJWQPTFNL-UHFFFAOYSA-N
Molecular Weight 332.355 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=CC=C1C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908188