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Terephthalic acid, isobutyl 2-methylbutyl ester

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

Terephthalic acid, isobutyl 2-methylbutyl ester
SpectraBase Compound ID 2047M39xwIM
InChI InChI=1S/C17H24O4/c1-5-13(4)11-21-17(19)15-8-6-14(7-9-15)16(18)20-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey FYAAVRDQMNRMRL-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 EODTF6ghyUG
Name Terephthalic acid, isobutyl 2-methylbutyl 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/c1-5-13(4)11-21-17(19)15-8-6-14(7-9-15)16(18)20-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey FYAAVRDQMNRMRL-UHFFFAOYSA-N
SMILES C(COC(C1=CC=C(C=C1)C(OCC(C)C)=O)=O)(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859699