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Terephthalic acid, 2-methylphenyl propyl ester

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

Terephthalic acid, 2-methylphenyl propyl ester
SpectraBase Compound ID 60q36DFN5IX
InChI InChI=1S/C18H18O4/c1-3-12-21-17(19)14-8-10-15(11-9-14)18(20)22-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3
InChIKey DTSVNPKUTLZLRI-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4WPPSFciw2V
Name Terephthalic acid, 2-methylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-3-12-21-17(19)14-8-10-15(11-9-14)18(20)22-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3
InChIKey DTSVNPKUTLZLRI-UHFFFAOYSA-N
SMILES CCCOC(C1=CC=C(C=C1)C(OC1=C(C=CC=C1)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915623