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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2,3-dimethylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dimethylphenyl pentadecyl ester
SpectraBase Compound ID 7sO2BXa3vXR
InChI InChI=1S/C30H50O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(7-2,8-3)29(32)34-27-23-21-22-25(4)26(27)5/h21-23H,6-20,24H2,1-5H3
InChIKey LSNAVAHTRIMYLA-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 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 G45OHlMOL5r
Name Diethylmalonic acid, 2,3-dimethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(7-2,8-3)29(32)34-27-23-21-22-25(4)26(27)5/h21-23H,6-20,24H2,1-5H3
InChIKey LSNAVAHTRIMYLA-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC