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6-CYANO-BICYClO-[2.2.2]-OCTAN-3-ONE

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6-CYANO-BICYClO-[2.2.2]-OCTAN-3-ONE
SpectraBase Compound ID 2i5clRUABDB
InChI InChI=1S/C9H11NO/c10-5-8-3-7-2-1-6(8)4-9(7)11/h6-8H,1-4H2/t6-,7-,8+/m0/s1
InChIKey CCNAFPLTYYAUPO-BIIVOSGPSA-N
Mol Weight 149.19 g/mol
Molecular Formula C9H11NO
Exact Mass 149.084064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GULb0SyL6wc
Name 6-CYANO-BICYClO-[2.2.2]-OCTAN-3-ONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO
InChI InChI=1S/C9H11NO/c10-5-8-3-7-2-1-6(8)4-9(7)11/h6-8H,1-4H2/t6-,7-,8+/m0/s1
InChIKey CCNAFPLTYYAUPO-BIIVOSGPSA-N
Literature Reference Author G.MEHTA,F.A.KHAN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1727(1993)
Literature Reference DOI 10.1039/p19930001727
Molecular Weight 149.192 g/mol
Solvent CDCl3
Source File Reference UWCP1425