Chem
J-GLOBAL ID：200907035144959343
Nikkaji number：J1.514.086K
(3S,8aα)-2-Oxo-3α-tert-butyloctahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
(3S,8aα)-2-オキソ-3α-tert-ブチルオクタヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
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
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
Molecular formula： C13H20N2O2
Molecular formula furigana： C13-H20-N2-O2
Molecular weight： 236.315
InChI：
InChI=1S/C13H20N2O2/c1-12(2,3)10-11(16)17-9-6-4-5-7-13(9,8-14)15-10/h9-10,15H,4-7H2,1-3H3/t9-,10-,13+/m1/s1
InChI key：
DTEAXDCWFJOCOG-BREBYQMCSA-N
SMILES：
CC(C)(C)[C@@H]1N[C@@]2(CCCC[C@H]2OC1=O)C#N
Systematic name (3)：
- (3S,8aα)-2-オキソ-3α-tert-ブチルオクタヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
- (3S,4aS,8aR)-3-tert-ブチル-2-オキソ-オクタヒドロ-2H-1,4-ベンゾオキサジン-4a-カルボニトリル
- (3S,4aS,8aR)-3-tert-butyl-2-oxo-octahydro-2H-1,4-benzoxazine-4a-carbonitrile
- (3S,8aα)-2-Oxo-3α-tert-butyloctahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
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