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(6R*,7R*,10S*)-(2E)-6,10-DICYANOHUMULAN-2-EN-8-ONE;DOMINANT-DIASTEREOMER
SpectraBase Compound ID A3BeS2SnksY
InChI InChI=1S/C17H24N2O/c1-12-5-6-14(10-18)13(2)16(20)9-15(11-19)17(3,4)8-7-12/h7,13-15H,5-6,8-9H2,1-4H3/b12-7+/t13-,14+,15+/m0/s1
InChIKey UWVMNFVKELYQQB-XSKCSMHKSA-N
Mol Weight 272.39 g/mol
Molecular Formula C17H24N2O
Exact Mass 272.188863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jt8y3mGu6N8
Name (6R*,7R*,10S*)-(2E)-6,10-DICYANOHUMULAN-2-EN-8-ONE;DOMINANT-DIASTEREOMER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24N2O
InChI InChI=1S/C17H24N2O/c1-12-5-6-14(10-18)13(2)16(20)9-15(11-19)17(3,4)8-7-12/h7,13-15H,5-6,8-9H2,1-4H3/b12-7+/t13-,14+,15+/m0/s1
InChIKey UWVMNFVKELYQQB-XSKCSMHKSA-N
Literature Reference Author T.KITAYAMA,T.OKAMOTO,R.K.HILL,Y.KAWAI,S.TAKAHASHI,S.YONEMORI ,Y.YAMAMOTO,K.OHE,S.
Literature Reference Citation J.ORG.CHEM.,64,2667(1999)
Literature Reference DOI 10.1021/jo981593n
Molecular Weight 272.390 g/mol
Sample ID 58612
Solvent CDCl3:CCl4