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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2,2-dimethylpent-3-yl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dimethylpent-3-yl decyl ester
SpectraBase Compound ID 5Q0GY9JVcM9
InChI InChI=1S/C25H40O4/c1-6-8-9-10-11-12-13-16-19-28-23(26)20-17-14-15-18-21(20)24(27)29-22(7-2)25(3,4)5/h14-15,17-18,22H,6-13,16,19H2,1-5H3
InChIKey WTADUFYCONLULG-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 L3ZIK5MBtFa
Name Phthalic acid, 2,2-dimethylpent-3-yl decyl 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/c1-6-8-9-10-11-12-13-16-19-28-23(26)20-17-14-15-18-21(20)24(27)29-22(7-2)25(3,4)5/h14-15,17-18,22H,6-13,16,19H2,1-5H3
InChIKey WTADUFYCONLULG-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCC)=O)C(OC(CC)C(C)(C)C)=O