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

*Links on SpectraBase are not permalinks.

Phthalic acid, 4-isopropylphenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-isopropylphenyl 2-ethylhexyl ester
SpectraBase Compound ID E1UHzcrIeBk
InChI InChI=1S/C25H32O4/c1-5-7-10-19(6-2)17-28-24(26)22-11-8-9-12-23(22)25(27)29-21-15-13-20(14-16-21)18(3)4/h8-9,11-16,18-19H,5-7,10,17H2,1-4H3
InChIKey QGEQLBPFBOVEHT-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 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 GAqX8AP8CVR
Name Phthalic acid, 4-isopropylphenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-5-7-10-19(6-2)17-28-24(26)22-11-8-9-12-23(22)25(27)29-21-15-13-20(14-16-21)18(3)4/h8-9,11-16,18-19H,5-7,10,17H2,1-4H3
InChIKey QGEQLBPFBOVEHT-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1(=C(C=CC=C1)C(OCC(CC)CCCC)=O)C(OC1=CC=C(C=C1)C(C)C)=O