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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 3-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-methylphenyl tridecyl ester
SpectraBase Compound ID aNbSCq7CN2
InChI InChI=1S/C27H44O4/c1-5-8-9-10-11-12-13-14-15-16-17-21-30-25(28)27(6-2,7-3)26(29)31-24-20-18-19-23(4)22-24/h18-20,22H,5-17,21H2,1-4H3
InChIKey MHVFRWZYBNRYHS-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 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 GUY27QyYnEI
Name Diethylmalonic acid, 3-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-8-9-10-11-12-13-14-15-16-17-21-30-25(28)27(6-2,7-3)26(29)31-24-20-18-19-23(4)22-24/h18-20,22H,5-17,21H2,1-4H3
InChIKey MHVFRWZYBNRYHS-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)C)=O)CC