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

*Links on SpectraBase are not permalinks.

Isophthalic acid, hexadecyl 3-methylbutyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hexadecyl 3-methylbutyl ester
SpectraBase Compound ID 9q6BhLMJVEq
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-28(30)26-19-18-20-27(24-26)29(31)33-23-21-25(2)3/h18-20,24-25H,4-17,21-23H2,1-3H3
InChIKey JZIQLXFUKDKDOX-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 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 Irw6DeK5uze
Name Isophthalic acid, hexadecyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-28(30)26-19-18-20-27(24-26)29(31)33-23-21-25(2)3/h18-20,24-25H,4-17,21-23H2,1-3H3
InChIKey JZIQLXFUKDKDOX-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1(=CC=CC(=C1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCCC