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Isophthalic acid, 2,5-dimethylphenyl ethyl ester

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

Isophthalic acid, 2,5-dimethylphenyl ethyl ester
SpectraBase Compound ID Gd705rZJSc
InChI InChI=1S/C18H18O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-10-12(2)8-9-13(16)3/h5-11H,4H2,1-3H3
InChIKey WSQSJFBCVLXBIA-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BlLZCnXWzlK
Name Isophthalic acid, 2,5-dimethylphenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-10-12(2)8-9-13(16)3/h5-11H,4H2,1-3H3
InChIKey WSQSJFBCVLXBIA-UHFFFAOYSA-N
SMILES C1(=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCC)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841752