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Terephthalic acid, isobutyl methyl ester

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

Terephthalic acid, isobutyl methyl ester
SpectraBase Compound ID 260wAJ3Ejg0
InChI InChI=1S/C13H16O4/c1-9(2)8-17-13(15)11-6-4-10(5-7-11)12(14)16-3/h4-7,9H,8H2,1-3H3
InChIKey WBNCJBMUOHNNSW-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fj1aBbUvT47
Name Terephthalic acid, isobutyl methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9(2)8-17-13(15)11-6-4-10(5-7-11)12(14)16-3/h4-7,9H,8H2,1-3H3
InChIKey WBNCJBMUOHNNSW-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C1=CC(=CC=C1C(OC)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919147