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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3,5-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-dimethylphenyl octyl ester
SpectraBase Compound ID I6qs2jprHuT
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-11-14-27-23(25)21-12-9-10-13-22(21)24(26)28-20-16-18(2)15-19(3)17-20/h9-10,12-13,15-17H,4-8,11,14H2,1-3H3
InChIKey IPLNIECSGHDKPM-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 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 Ke2c4KHzF1T
Name Phthalic acid, 3,5-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-11-14-27-23(25)21-12-9-10-13-22(21)24(26)28-20-16-18(2)15-19(3)17-20/h9-10,12-13,15-17H,4-8,11,14H2,1-3H3
InChIKey IPLNIECSGHDKPM-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES CCCCCCCCOC(C1=C(C(OC2=CC(=CC(=C2)C)C)=O)C=CC=C1)=O