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

*Links on SpectraBase are not permalinks.

Isophthalic acid, di(2-isopropylphenyl) ester

View entire compound with spectra: 1 NMR

Isophthalic acid, di(2-isopropylphenyl) ester
SpectraBase Compound ID GfOkMrBmTB2
InChI InChI=1S/C26H26O4/c1-17(2)21-12-5-7-14-23(21)29-25(27)19-10-9-11-20(16-19)26(28)30-24-15-8-6-13-22(24)18(3)4/h5-18H,1-4H3
InChIKey JNEANCAZOPNWOB-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 DpiT0FRf16H
Name Isophthalic acid, di(2-isopropylphenyl) 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/c1-17(2)21-12-5-7-14-23(21)29-25(27)19-10-9-11-20(16-19)26(28)30-24-15-8-6-13-22(24)18(3)4/h5-18H,1-4H3
InChIKey JNEANCAZOPNWOB-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C(C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OC=1C(C(C)C)=CC=CC1)=O)=O)(C)C