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2,2-Dihexylmalonic acid, diethyl ester
SpectraBase Compound ID D9ZGWu6lfhJ
InChI InChI=1S/C19H36O4/c1-5-9-11-13-15-19(17(20)22-7-3,18(21)23-8-4)16-14-12-10-6-2/h5-16H2,1-4H3
InChIKey PWSLBMVNVSADMI-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f9iRdGdVvB
Name 2,2-Dihexylmalonic acid, diethyl ester
Alternate Name(s) 2,2-Dihexylpropanedioic acid diethyl ester Diethyl 2,2-dihexylmalonate Diethyl 2,2-dihexylpropanedioate
CAS Registry Number 54662-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-5-9-11-13-15-19(17(20)22-7-3,18(21)23-8-4)16-14-12-10-6-2/h5-16H2,1-4H3
InChIKey PWSLBMVNVSADMI-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES CCOC(C(CCCCCC)(C(=O)OCC)CCCCCC)=O
SPLASH splash10-00di-5920000000-b8e97929082095420704
Wiley ID 1483831