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Acetic acid, 2-cyano-2-(5-carbmethoxypyrrolidine-2-ylidene)-, t-butyl ester
SpectraBase Compound ID IBPkXed9t51
InChI InChI=1S/C13H18N2O4/c1-13(2,3)19-11(16)8(7-14)9-5-6-10(15-9)12(17)18-4/h10,15H,5-6H2,1-4H3/b9-8+
InChIKey MJLDOQIIMPWYAI-CMDGGOBGSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JA7Rcjy13mD
Name Acetic acid, 2-cyano-2-(5-carbmethoxypyrrolidine-2-ylidene)-, t-butyl ester
Comments Structure changed after expert review
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Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-13(2,3)19-11(16)8(7-14)9-5-6-10(15-9)12(17)18-4/h10,15H,5-6H2,1-4H3/b9-8+
InChIKey MJLDOQIIMPWYAI-CMDGGOBGSA-N
Molecular Weight 266.297 g/mol
SMILES N1C(CC\C1=C/(C#N)C(=O)OC(C)(C)C)C(=O)OC
SPLASH splash10-0udi-2910000000-fc93fc9dccdc7d50668a
Synonyms Methyl (5E)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)-2-pyrrolidinecarboxylate Methyl 5-(2-tert-butoxy-1-cyano-2-oxoethylidene)prolinate Methyl (5E)-5-[1-cyano-2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidine-2-carboxylate
Wiley ID 1477350