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[(1R)-(1.alpha.,4a.beta.)]-1-[N-(Cyanoamino)methyl]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)phenanthrene
SpectraBase Compound ID 93x8e3bnmHN
InChI InChI=1S/C21H30N2/c1-15(2)16-6-8-18-17(12-16)7-9-19-20(3,13-23-14-22)10-5-11-21(18,19)4/h6,8,12,15,19,23H,5,7,9-11,13H2,1-4H3/t19?,20-,21+/m0/s1
InChIKey OVCBQFZYNQZICZ-GJGLBJJNSA-N
Mol Weight 310.48 g/mol
Molecular Formula C21H30N2
Exact Mass 310.240899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f3UN1YCSuM
Name [(1R)-(1.alpha.,4a.beta.)]-1-[N-(Cyanoamino)methyl]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)phenanthrene
Comments Less than 3 mono-isotopic peaks
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Formula C21H30N2
InChI InChI=1S/C21H30N2/c1-15(2)16-6-8-18-17(12-16)7-9-19-20(3,13-23-14-22)10-5-11-21(18,19)4/h6,8,12,15,19,23H,5,7,9-11,13H2,1-4H3/t19?,20-,21+/m0/s1
InChIKey OVCBQFZYNQZICZ-GJGLBJJNSA-N
Molecular Weight 310.485 g/mol
SMILES N(C#N)C[C@]1(C2[C@@](c3c(cc(cc3)C(C)C)CC2)(CCC1)C)C
SPLASH splash10-0002-0091000000-3d00d8e7383416d75a88
Source of Spectrum SO-0-1056-1
Wiley ID 1539095