For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2,6-dimethoxyphenyl heptyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,6-dimethoxyphenyl heptyl ester
SpectraBase Compound ID 3bK71KPZP16
InChI InChI=1S/C23H28O6/c1-4-5-6-7-8-15-28-22(24)17-11-9-12-18(16-17)23(25)29-21-19(26-2)13-10-14-20(21)27-3/h9-14,16H,4-8,15H2,1-3H3
InChIKey HTCKUBUMIUNVMX-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ebr0KqB0IPh
Name Isophthalic acid, 2,6-dimethoxyphenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.188588616 u
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-4-5-6-7-8-15-28-22(24)17-11-9-12-18(16-17)23(25)29-21-19(26-2)13-10-14-20(21)27-3/h9-14,16H,4-8,15H2,1-3H3
InChIKey HTCKUBUMIUNVMX-UHFFFAOYSA-N
Molecular Weight 400.471 g/mol
SMILES CCCCCCCOC(C=1C=C(C(OC2=C(C=CC=C2OC)OC)=O)C=CC1)=O