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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 4-methylpent-2-yl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-methylpent-2-yl undecyl ester
SpectraBase Compound ID CrjtM09ZdLs
InChI InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-12-13-17-28-24(26)22-15-14-16-23(19-22)25(27)29-21(4)18-20(2)3/h14-16,19-21H,5-13,17-18H2,1-4H3
InChIKey XNKKYWIMQVRBEH-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 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 KUv0zFjVch5
Name Isophthalic acid, 4-methylpent-2-yl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-12-13-17-28-24(26)22-15-14-16-23(19-22)25(27)29-21(4)18-20(2)3/h14-16,19-21H,5-13,17-18H2,1-4H3
InChIKey XNKKYWIMQVRBEH-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCC)C(OC(CC(C)C)C)=O