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(+)-(1S,4R,5S,6R)-6-Cyano-4,8,8-trimethylbicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID 8jLnm9YUIeX
InChI InChI=1S/C13H19NO/c1-8-11-4-10(5-12(8)15)13(2,3)6-9(11)7-14/h8-11H,4-6H2,1-3H3/t8-,9+,10+,11-/m1/s1
InChIKey LBORSHYRUFNSJA-VPOLOUISSA-N
Mol Weight 205.3 g/mol
Molecular Formula C13H19NO
Exact Mass 205.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5x79Xi4THzT
Name (+)-(1S,4R,5S,6R)-6-Cyano-4,8,8-trimethylbicyclo[3.3.1]nonan-3-one
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Formula C13H19NO
InChI InChI=1S/C13H19NO/c1-8-11-4-10(5-12(8)15)13(2,3)6-9(11)7-14/h8-11H,4-6H2,1-3H3/t8-,9+,10+,11-/m1/s1
InChIKey LBORSHYRUFNSJA-VPOLOUISSA-N
Molecular Weight 205.301 g/mol
SMILES [C@]12(C[C@]([H])(C(C[C@]2(C#N)[H])(C)C)CC([C@@]1(C)[H])=O)[H]
SPLASH splash10-0a59-4900000000-708986ac3da9566ed61e
Source of Spectrum F-50-8788-8
Synonyms (1S,2R,5S,8R)-4,4,8-trimethyl-7-oxobicyclo[3.3.1]nonane-2-carbonitrile
Wiley ID 1203607