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Cyano-(5-cyanopyrrolidin-2-ylidene)acetic acid, t-butyl ester
SpectraBase Compound ID CJ1bFppDnny
InChI InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)9(7-14)10-5-4-8(6-13)15-10/h8,15H,4-5H2,1-3H3/b10-9+
InChIKey KNZJRVNZBCGUCJ-MDZDMXLPSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnHLg6Qidoj
Name Cyano-(5-cyanopyrrolidin-2-ylidene)acetic acid, t-butyl ester
Comments Structure changed after expert review
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Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)9(7-14)10-5-4-8(6-13)15-10/h8,15H,4-5H2,1-3H3/b10-9+
InChIKey KNZJRVNZBCGUCJ-MDZDMXLPSA-N
Molecular Weight 233.271 g/mol
SMILES N1\C(CCC1C#N)=C/(C#N)C(=O)OC(C)(C)C
SPLASH splash10-056r-7900000000-537827e78980b3786147
Synonyms tert-Butyl (2E)-cyano(5-cyano-2-pyrrolidinylidene)ethanoate tert-Butyl (2E)-2-cyano-2-(5-cyanopyrrolidin-2-ylidene)acetate
Wiley ID 1489696