Chem
J-GLOBAL ID:200907055982130670   Nikkaji number:J1.175.730H

(2S)-1-Methylene-4aβ-methyl-5-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-2α-acetonitrile

(2S)-1-メチレン-4aβ-メチル-5-オキソ-1,2,3,4,4a,5,6,7-オクタヒドロナフタレン-2α-アセトニトリル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C14H17NO
Molecular formula furigana: C14-H17-N-O
Molecular weight: 215.296
InChI: InChI=1S/C14H17NO/c1-10-11(7-9-15)6-8-14(2)12(10)4-3-5-13(14)16/h4,11H,1,3,5-8H2,2H3/t11-,14-/m0/s1
InChI key: PNDZGGLNSJOPBM-FZMZJTMJSA-N
SMILES: C[C@]12CC[C@@H](CC#N)C(=C)C1=CCCC2=O
Systematic name  (3):
  • (2S)-1-メチレン-4aβ-メチル-5-オキソ-1,2,3,4,4a,5,6,7-オクタヒドロナフタレン-2α-アセトニトリル
  • 2-[(2S,4aS)-4a-メチル-1-メチリデン-5-オキソ-1,2,3,4,4a,5,6,7-オクタヒドロナフタレン-2-イル]アセトニトリル
  • 2-[(2S,4aS)-4a-methyl-1-methylidene-5-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]acetonitrile
Other name (1):
  • (2S)-1-Methylene-4aβ-methyl-5-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-2α-acetonitrile
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