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Terephthalic acid, isobutyl propyl ester

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

Terephthalic acid, isobutyl propyl ester
SpectraBase Compound ID EvOTDyrAhWG
InChI InChI=1S/C15H20O4/c1-4-9-18-14(16)12-5-7-13(8-6-12)15(17)19-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKey XRJVOHJVIRNQSK-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7aHsSOIBC4r
Name Terephthalic acid, isobutyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-4-9-18-14(16)12-5-7-13(8-6-12)15(17)19-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKey XRJVOHJVIRNQSK-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C1(=CC=C(C=C1)C(OCC(C)C)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932115