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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2-biphenyl hexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-biphenyl hexyl ester
SpectraBase Compound ID 9mZ5eY15anL
InChI InChI=1S/C26H26O4/c1-2-3-4-10-18-29-25(27)21-14-11-15-22(19-21)26(28)30-24-17-9-8-16-23(24)20-12-6-5-7-13-20/h5-9,11-17,19H,2-4,10,18H2,1H3
InChIKey WGKHSRDIIIQRBS-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 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 2hAYAdV7q7M
Name Isophthalic acid, 2-biphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.183109313 u
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-2-3-4-10-18-29-25(27)21-14-11-15-22(19-21)26(28)30-24-17-9-8-16-23(24)20-12-6-5-7-13-20/h5-9,11-17,19H,2-4,10,18H2,1H3
InChIKey WGKHSRDIIIQRBS-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C1=CC=C(C=C1)C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O