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Isophthalic acid, 2-ethylphenyl ethyl ester

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

Isophthalic acid, 2-ethylphenyl ethyl ester
SpectraBase Compound ID 1q6mTtdCUxj
InChI InChI=1S/C18H18O4/c1-3-13-8-5-6-11-16(13)22-18(20)15-10-7-9-14(12-15)17(19)21-4-2/h5-12H,3-4H2,1-2H3
InChIKey JMQOGBOYHNSNQP-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 GvfIb7YaekU
Name Isophthalic acid, 2-ethylphenyl 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/c1-3-13-8-5-6-11-16(13)22-18(20)15-10-7-9-14(12-15)17(19)21-4-2/h5-12H,3-4H2,1-2H3
InChIKey JMQOGBOYHNSNQP-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)C(=O)OCC)C(OC1=C(CC)C=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914661