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2-Butyl-2-(3-ketobutyl)malonic acid dimethyl ester
SpectraBase Compound ID jGoGJJEAmv
InChI InChI=1S/C13H22O5/c1-5-6-8-13(11(15)17-3,12(16)18-4)9-7-10(2)14/h5-9H2,1-4H3
InChIKey KFVJTRDLLGCOBL-UHFFFAOYSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqcxQTIamgN
Name 2-Butyl-2-(3-ketobutyl)malonic acid dimethyl ester
Alternate Name(s) 2-Butyl-2-(3-oxobutyl)propanedioic acid dimethyl ester Dimethyl 2-butyl-2-(3-oxidanylidenebutyl)propanedioate Dimethyl 2-butyl-2-(3-oxobutyl)propanedioate
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Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-5-6-8-13(11(15)17-3,12(16)18-4)9-7-10(2)14/h5-9H2,1-4H3
InChIKey KFVJTRDLLGCOBL-UHFFFAOYSA-N
Molecular Weight 258.314 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(CCC(=O)C)CCCC
SPLASH splash10-0007-8910000000-81dd392bbcc87e54ae4a
Source of Spectrum K1-2001-2325-6
Wiley ID 846486