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Terephthalic acid, 3-methoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-methoxyphenyl octyl ester
SpectraBase Compound ID KXjH1ELJiVl
InChI InChI=1S/C23H28O5/c1-3-4-5-6-7-8-16-27-22(24)18-12-14-19(15-13-18)23(25)28-21-11-9-10-20(17-21)26-2/h9-15,17H,3-8,16H2,1-2H3
InChIKey MOJUGCLRWVRIKF-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ReP9RY0gRd
Name Terephthalic acid, 3-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-3-4-5-6-7-8-16-27-22(24)18-12-14-19(15-13-18)23(25)28-21-11-9-10-20(17-21)26-2/h9-15,17H,3-8,16H2,1-2H3
InChIKey MOJUGCLRWVRIKF-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(OC1=CC(OC)=CC=C1)=O