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

*Links on SpectraBase are not permalinks.

Phthalic acid, isobutyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl tridecyl ester
SpectraBase Compound ID 1kFbaCLBvEH
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(2)3/h14-15,17-18,21H,4-13,16,19-20H2,1-3H3
InChIKey UBYAFWQNUQUOFL-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 4CiHFsP7AL8
Name Phthalic acid, isobutyl tridecyl 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/c1-4-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(2)3/h14-15,17-18,21H,4-13,16,19-20H2,1-3H3
InChIKey UBYAFWQNUQUOFL-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCC)C(=O)OCC(C)C