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

*Links on SpectraBase are not permalinks.

Isophthalic acid, isohexyl 4-octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isohexyl 4-octyl ester
SpectraBase Compound ID 8wIpAk82HvI
InChI InChI=1S/C22H34O4/c1-5-7-14-20(10-6-2)26-22(24)19-13-8-12-18(16-19)21(23)25-15-9-11-17(3)4/h8,12-13,16-17,20H,5-7,9-11,14-15H2,1-4H3
InChIKey GOXCBWPVBPKUAP-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 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 KqApCCZL1l7
Name Isophthalic acid, isohexyl 4-octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-5-7-14-20(10-6-2)26-22(24)19-13-8-12-18(16-19)21(23)25-15-9-11-17(3)4/h8,12-13,16-17,20H,5-7,9-11,14-15H2,1-4H3
InChIKey GOXCBWPVBPKUAP-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(OC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O)(CCC)CCCC