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(-)-(1S,4R,5S,6S)-6-Cyano-4,6,8,8-tetramethylbicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID 1exHptYUgBn
InChI InChI=1S/C14H21NO/c1-9-11-5-10(6-12(9)16)13(2,3)7-14(11,4)8-15/h9-11H,5-7H2,1-4H3/t9-,10+,11+,14-/m1/s1
InChIKey CQEIWZUNCSWLGQ-YAMSLAJTSA-N
Mol Weight 219.33 g/mol
Molecular Formula C14H21NO
Exact Mass 219.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nJi75jEiQW
Name (-)-(1S,4R,5S,6S)-6-Cyano-4,6,8,8-tetramethylbicyclo[3.3.1]nonan-3-one
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Formula C14H21NO
InChI InChI=1S/C14H21NO/c1-9-11-5-10(6-12(9)16)13(2,3)7-14(11,4)8-15/h9-11H,5-7H2,1-4H3/t9-,10+,11+,14-/m1/s1
InChIKey CQEIWZUNCSWLGQ-YAMSLAJTSA-N
Molecular Weight 219.328 g/mol
SMILES [C@@]1([C@]2(C[C@](C(C1)(C)C)(CC([C@@]2(C)[H])=O)[H])[H])(C#N)C
SPLASH splash10-0a4i-1910000000-f87c9dc66230269ca995
Source of Spectrum F-50-8790-13
Synonyms (1S,2S,5S,8R)-2,4,4,8-tetramethyl-7-oxobicyclo[3.3.1]nonane-2-carbonitrile
Wiley ID 1219078