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2-Butyl-2-(2-cyanoethyl)malonic acid dimethyl ester
SpectraBase Compound ID 5d8TUM8P9bT
InChI InChI=1S/C12H19NO4/c1-4-5-7-12(8-6-9-13,10(14)16-2)11(15)17-3/h4-8H2,1-3H3
InChIKey XOTHPHOKZCDUCR-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELE36XGP2jF
Name 2-Butyl-2-(2-cyanoethyl)malonic acid dimethyl ester
Alternate Name(s) 2-Butyl-2-(2-cyanoethyl)propanedioic acid dimethyl ester Dimethyl 2-butyl-2-(2-cyanoethyl)propanedioate
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Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-4-5-7-12(8-6-9-13,10(14)16-2)11(15)17-3/h4-8H2,1-3H3
InChIKey XOTHPHOKZCDUCR-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(CCC#N)CCCC
SPLASH splash10-0002-2900000000-8963645a44080838cca9
Source of Spectrum K1-2001-2325-8
Wiley ID 846484