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(2S,3R)-2-cyano-5-keto-2,3-dimethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID G0sGYxxtvpG
InChI InChI=1S/C12H18N2O3/c1-8-6-9(15)14(12(8,5)7-13)10(16)17-11(2,3)4/h8H,6H2,1-5H3/t8-,12-/m1/s1
InChIKey CXBHFAQFLKXVBB-PRHODGIISA-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 ARGjQz1HvL7
Name (2S,3R)-2-cyano-2,3-dimethyl-5-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester
Alternate Name(s) (2S,3R)-2-cyano-5-keto-2,3-dimethyl-pyrrolidine-1-carboxylic acid tert-butyl ester tert-Butyl (2S,3R)-2-cyano-2,3-dimethyl-5-oxidanylidene-pyrrolidine-1-carboxylate tert-Butyl (2S,3R)-2-cyano-2,3-dimethyl-5-oxo-pyrrolidine-1-carboxylate
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Formula C12H18N2O3
InChI InChI=1S/C12H18N2O3/c1-8-6-9(15)14(12(8,5)7-13)10(16)17-11(2,3)4/h8H,6H2,1-5H3/t8-,12-/m1/s1
InChIKey CXBHFAQFLKXVBB-PRHODGIISA-N
Molecular Weight 238.287 g/mol
SMILES C(N1C(C[C@]([C@]1(C#N)C)(C)[H])=O)(OC(C)(C)C)=O
SPLASH splash10-0a4l-9400000000-20b606ccbc03957374c0
Source of Spectrum F-54-9455-13
Wiley ID 808278