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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 4-bromophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromophenyl tridecyl ester
SpectraBase Compound ID 7wcLH5tORFu
InChI InChI=1S/C26H41BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-21-30-24(28)26(5-2,6-3)25(29)31-23-19-17-22(27)18-20-23/h17-20H,4-16,21H2,1-3H3
InChIKey IXHRGLUDTPCJMA-UHFFFAOYSA-N
Mol Weight 497.5 g/mol
Molecular Formula C26H41BrO4
Exact Mass 496.218823 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 CqUdeWty23L
Name Diethylmalonic acid, 4-bromophenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.218822796 u
Formula C26H41BrO4
InChI InChI=1S/C26H41BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-21-30-24(28)26(5-2,6-3)25(29)31-23-19-17-22(27)18-20-23/h17-20H,4-16,21H2,1-3H3
InChIKey IXHRGLUDTPCJMA-UHFFFAOYSA-N
Molecular Weight 497.514 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)Br)=O)CC