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

*Links on SpectraBase are not permalinks.

Isophthalic acid, octyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, octyl 2-propylphenyl ester
SpectraBase Compound ID 4e85CuJ6842
InChI InChI=1S/C25H32O4/c1-3-5-6-7-8-11-18-28-24(26)21-15-12-16-22(19-21)25(27)29-23-17-10-9-14-20(23)13-4-2/h9-10,12,14-17,19H,3-8,11,13,18H2,1-2H3
InChIKey UVVARRGRXWHWJH-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 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 KtjkCZofmCO
Name Isophthalic acid, octyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-3-5-6-7-8-11-18-28-24(26)21-15-12-16-22(19-21)25(27)29-23-17-10-9-14-20(23)13-4-2/h9-10,12,14-17,19H,3-8,11,13,18H2,1-2H3
InChIKey UVVARRGRXWHWJH-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCC)C(OC=1C(CCC)=CC=CC1)=O