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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, 2,5-dichlorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl hexadecyl ester
SpectraBase Compound ID IyhNgedC4CU
InChI InChI=1S/C27H42Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25(30)27(2,3)26(31)33-24-21-22(28)18-19-23(24)29/h18-19,21H,4-17,20H2,1-3H3
InChIKey VTRHGLRVIXYCGG-UHFFFAOYSA-N
Mol Weight 501.5 g/mol
Molecular Formula C27H42Cl2O4
Exact Mass 500.246015 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 ERKi6j66gHj
Name Dimethylmalonic acid, 2,5-dichlorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.246015228 u
Formula C27H42Cl2O4
InChI InChI=1S/C27H42Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25(30)27(2,3)26(31)33-24-21-22(28)18-19-23(24)29/h18-19,21H,4-17,20H2,1-3H3
InChIKey VTRHGLRVIXYCGG-UHFFFAOYSA-N
Molecular Weight 501.535 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCCCCCC)=O)(C)C)=O)Cl