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Terephthalic acid, heptyl 2-phenylethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, heptyl 2-phenylethyl ester
SpectraBase Compound ID EEhAhepuZV8
InChI InChI=1S/C23H28O4/c1-2-3-4-5-9-17-26-22(24)20-12-14-21(15-13-20)23(25)27-18-16-19-10-7-6-8-11-19/h6-8,10-15H,2-5,9,16-18H2,1H3
InChIKey IHEDWPQXRIMPAL-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtmxARjQfu6
Name Terephthalic acid, heptyl 2-phenylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-2-3-4-5-9-17-26-22(24)20-12-14-21(15-13-20)23(25)27-18-16-19-10-7-6-8-11-19/h6-8,10-15H,2-5,9,16-18H2,1H3
InChIKey IHEDWPQXRIMPAL-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCC)=O)C(OCCC1=CC=CC=C1)=O