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Terephthalic acid, butyl 2-methylphenyl ester

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

Terephthalic acid, butyl 2-methylphenyl ester
SpectraBase Compound ID 5kKf03CridM
InChI InChI=1S/C19H20O4/c1-3-4-13-22-18(20)15-9-11-16(12-10-15)19(21)23-17-8-6-5-7-14(17)2/h5-12H,3-4,13H2,1-2H3
InChIKey FGHBDENSDWMXCG-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3aWhjhDLNFZ
Name Terephthalic acid, butyl 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-3-4-13-22-18(20)15-9-11-16(12-10-15)19(21)23-17-8-6-5-7-14(17)2/h5-12H,3-4,13H2,1-2H3
InChIKey FGHBDENSDWMXCG-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES CCCCOC(C1=CC=C(C=C1)C(OC1=C(C=CC=C1)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898246