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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 3-methylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-methylphenyl pentadecyl ester
SpectraBase Compound ID 7ScHkoLOup7
InChI InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(6-2,7-3)28(31)33-26-22-20-21-25(4)24-26/h20-22,24H,5-19,23H2,1-4H3
InChIKey FDIPILODFWTMGN-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 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 7ue4ZF5POVW
Name Diethylmalonic acid, 3-methylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(6-2,7-3)28(31)33-26-22-20-21-25(4)24-26/h20-22,24H,5-19,23H2,1-4H3
InChIKey FDIPILODFWTMGN-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)C)=O)CC