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3-AMINO-4-CYANO-1,2-DI-TERT.-BUTYL-3-PYRAZOLIN-5-ONE
SpectraBase Compound ID cEaSbwXDkY
InChI InChI=1S/C12H20N4O/c1-11(2,3)15-9(14)8(7-13)10(17)16(15)12(4,5)6/h14H2,1-6H3
InChIKey RTNUOTWTCVKMMQ-UHFFFAOYSA-N
Mol Weight 236.32 g/mol
Molecular Formula C12H20N4O
Exact Mass 236.163711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YOscD4Kihw
Name 3-AMINO-4-CYANO-1,2-DI-TERT.-BUTYL-3-PYRAZOLIN-5-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20N4O
InChI InChI=1S/C12H20N4O/c1-11(2,3)15-9(14)8(7-13)10(17)16(15)12(4,5)6/h14H2,1-6H3
InChIKey RTNUOTWTCVKMMQ-UHFFFAOYSA-N
Literature Reference Author M.KOMATSU,Y.KAJIHARA,M.KOBAYASHI,S.ITOH,Y.OHSHIRO
Literature Reference Citation J.ORG.CHEM.,57,7359(1992)
Literature Reference DOI 10.1021/jo00052a067
Molecular Weight 236.317 g/mol
Solvent DMSO-D6
Source File Reference UWCS6247