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2-(4-cyano-2-keto-piperidino)acetic acid tert-butyl ester
SpectraBase Compound ID FX9QxgTjvlK
InChI InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)8-14-5-4-9(7-13)6-10(14)15/h9H,4-6,8H2,1-3H3
InChIKey PIMDMYKBBQFUCC-UHFFFAOYSA-N
Mol Weight 238.29 g/mol
Molecular Formula C12H18N2O3
Exact Mass 238.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL5VPfvXuN4
Name 2-(4-cyano-2-keto-piperidino)acetic acid tert-butyl ester
Alternate Name(s) 2-(4-cyano-2-oxo-1-piperidinyl)acetic acid tert-butyl ester tert-Butyl 2-(4-cyano-2-oxidanylidene-piperidin-1-yl)ethanoate tert-Butyl 2-(4-cyano-2-oxo-1-piperidyl)acetate tert-Butyl 2-(4-cyano-2-oxopiperidin-1-yl)acetate
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Formula C12H18N2O3
InChI InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)8-14-5-4-9(7-13)6-10(14)15/h9H,4-6,8H2,1-3H3
InChIKey PIMDMYKBBQFUCC-UHFFFAOYSA-N
Molecular Weight 238.287 g/mol
SMILES C1(N(CCC(C1)C#N)CC(OC(C)(C)C)=O)=O
SPLASH splash10-0a4i-9600000000-73797cf564c0f4058679
Source of Spectrum F-68-9550-10
Wiley ID 1573874