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2,2,4-TRICYANOPENTAN-3-ONE
SpectraBase Compound ID 7DnnMphSR5j
InChI InChI=1S/C8H7N3O/c1-6(3-9)7(12)8(2,4-10)5-11/h6H,1-2H3
InChIKey SSYRMRQZBFSFIC-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C8H7N3O
Exact Mass 161.058912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9H4Ns9LK7f
Name 2,2,4-TRICYANOPENTAN-3-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7N3O
InChI InChI=1S/C8H7N3O/c1-6(3-9)7(12)8(2,4-10)5-11/h6H,1-2H3
InChIKey SSYRMRQZBFSFIC-UHFFFAOYSA-N
Literature Reference Author A.ECHEVARRIA,J.ELGUERO,G.I.YRANZO,E.DIEZ-BARRA,A.DELAHOZ,A.M ORENO,M.A.GARCIA-MAR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2229(1993)
Literature Reference DOI 10.1039/p19930002229
Molecular Weight 161.163 g/mol
Solvent CDCl3
Source File Reference WANG340