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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2-chloro-4-methoxyphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-4-methoxyphenyl dodecyl ester
SpectraBase Compound ID 8bl2xG4fedm
InChI InChI=1S/C26H41ClO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-23-18-17-21(30-4)20-22(23)27/h17-18,20H,5-16,19H2,1-4H3
InChIKey UTVWCESJPYCUBI-UHFFFAOYSA-N
Mol Weight 469.1 g/mol
Molecular Formula C26H41ClO5
Exact Mass 468.264252 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 Ad05hWTkzxe
Name Diethylmalonic acid, 2-chloro-4-methoxyphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.264252115 u
Formula C26H41ClO5
InChI InChI=1S/C26H41ClO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-23-18-17-21(30-4)20-22(23)27/h17-18,20H,5-16,19H2,1-4H3
InChIKey UTVWCESJPYCUBI-UHFFFAOYSA-N
Molecular Weight 469.062 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O