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Terephthalic acid, hexyl methyl ester

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

Terephthalic acid, hexyl methyl ester
SpectraBase Compound ID K5Sb1bW60sk
InChI InChI=1S/C15H20O4/c1-3-4-5-6-11-19-15(17)13-9-7-12(8-10-13)14(16)18-2/h7-10H,3-6,11H2,1-2H3
InChIKey VQIJGRLSXRMYNR-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 2kUXfs3vC4v
Name Terephthalic acid, hexyl methyl 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/c1-3-4-5-6-11-19-15(17)13-9-7-12(8-10-13)14(16)18-2/h7-10H,3-6,11H2,1-2H3
InChIKey VQIJGRLSXRMYNR-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C1=CC(=CC=C1C(OC)=O)C(OCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882415