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Terephthalic acid, 1-cyclopentylethyl propyl ester

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

Terephthalic acid, 1-cyclopentylethyl propyl ester
SpectraBase Compound ID Dw59u6lm0Lq
InChI InChI=1S/C18H24O4/c1-3-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13(2)14-6-4-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3
InChIKey JQRAVNLLDBJHNV-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BCRzKootFef
Name Terephthalic acid, 1-cyclopentylethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.167459249 u
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-3-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13(2)14-6-4-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3
InChIKey JQRAVNLLDBJHNV-UHFFFAOYSA-N
SMILES CCCOC(C1=CC=C(C=C1)C(OC(C1CCCC1)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923184