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Isophthalic acid, decyl 4-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 4-methoxyphenyl ester
SpectraBase Compound ID 4AYLp5FxfKf
InChI InChI=1S/C25H32O5/c1-3-4-5-6-7-8-9-10-18-29-24(26)20-12-11-13-21(19-20)25(27)30-23-16-14-22(28-2)15-17-23/h11-17,19H,3-10,18H2,1-2H3
InChIKey QITXTALGTSVMPN-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MTjY67haKB
Name Isophthalic acid, decyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-3-4-5-6-7-8-9-10-18-29-24(26)20-12-11-13-21(19-20)25(27)30-23-16-14-22(28-2)15-17-23/h11-17,19H,3-10,18H2,1-2H3
InChIKey QITXTALGTSVMPN-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C1=C(C=CC(=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O)OC