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Terephthalic acid, but-2-enyl isobutyl ester

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

Terephthalic acid, but-2-enyl isobutyl ester
SpectraBase Compound ID 83NVAhjjiif
InChI InChI=1S/C16H20O4/c1-4-5-10-19-15(17)13-6-8-14(9-7-13)16(18)20-11-12(2)3/h4-9,12H,10-11H2,1-3H3/b5-4+
InChIKey MGGGGDZVIFIYRK-SNAWJCMRSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3wxDuQ762Ls
Name Terephthalic acid, but-2-enyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-5-10-19-15(17)13-6-8-14(9-7-13)16(18)20-11-12(2)3/h4-9,12H,10-11H2,1-3H3/b5-4+
InChIKey MGGGGDZVIFIYRK-SNAWJCMRSA-N
SMILES C1=CC(=CC=C1C(OCC(C)C)=O)C(OC\C=C\C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933876