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Terephthalic acid, 3,5-dimethylphenyl propyl ester

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

Terephthalic acid, 3,5-dimethylphenyl propyl ester
SpectraBase Compound ID 5GjtTwMFlp0
InChI InChI=1S/C19H20O4/c1-4-9-22-18(20)15-5-7-16(8-6-15)19(21)23-17-11-13(2)10-14(3)12-17/h5-8,10-12H,4,9H2,1-3H3
InChIKey SKJDMNUGBJVNHB-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 mEkxlnAEpB
Name Terephthalic acid, 3,5-dimethylphenyl propyl 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/c1-4-9-22-18(20)15-5-7-16(8-6-15)19(21)23-17-11-13(2)10-14(3)12-17/h5-8,10-12H,4,9H2,1-3H3
InChIKey SKJDMNUGBJVNHB-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C1=CC(=CC=C1C(OCCC)=O)C(OC=1C=C(C)C=C(C)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912736