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Isophthalic acid, 4-methoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-methoxyphenyl nonyl ester
SpectraBase Compound ID JwDGI4topJd
InChI InChI=1S/C24H30O5/c1-3-4-5-6-7-8-9-17-28-23(25)19-11-10-12-20(18-19)24(26)29-22-15-13-21(27-2)14-16-22/h10-16,18H,3-9,17H2,1-2H3
InChIKey KHGZNIDEYKFWGC-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NPlR1hYHiV
Name Isophthalic acid, 4-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-3-4-5-6-7-8-9-17-28-23(25)19-11-10-12-20(18-19)24(26)29-22-15-13-21(27-2)14-16-22/h10-16,18H,3-9,17H2,1-2H3
InChIKey KHGZNIDEYKFWGC-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O)OC