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Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester

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

Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester
SpectraBase Compound ID HFLwepXSA4j
InChI InChI=1S/C17H24O4/c1-6-14(17(3,4)5)21-16(19)13-10-8-12(9-11-13)15(18)20-7-2/h8-11,14H,6-7H2,1-5H3
InChIKey ONMOCKIZPWRAMC-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3cTs4ymuEJz
Name Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-6-14(17(3,4)5)21-16(19)13-10-8-12(9-11-13)15(18)20-7-2/h8-11,14H,6-7H2,1-5H3
InChIKey ONMOCKIZPWRAMC-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)C(OCC)=O)C(=O)OC(C(C)(C)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80046