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Terephthalic acid, 1-cyclopentylethyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 1-cyclopentylethyl heptyl ester
SpectraBase Compound ID 3SjI64296YQ
InChI InChI=1S/C22H32O4/c1-3-4-5-6-9-16-25-21(23)19-12-14-20(15-13-19)22(24)26-17(2)18-10-7-8-11-18/h12-15,17-18H,3-11,16H2,1-2H3
InChIKey FKSYUGBALOMTSV-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yxJdedyqQp
Name Terephthalic acid, 1-cyclopentylethyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-3-4-5-6-9-16-25-21(23)19-12-14-20(15-13-19)22(24)26-17(2)18-10-7-8-11-18/h12-15,17-18H,3-11,16H2,1-2H3
InChIKey FKSYUGBALOMTSV-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1(=CC=C(C=C1)C(OC(C1CCCC1)C)=O)C(OCCCCCCC)=O