Chem
J-GLOBAL ID：200907044181428012
Nikkaji number：J1.514.087I
(4aS)-2-Oxo-3-tert-butyl-4a,5,6,7,8,8aα-hexahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
(4aS)-2-オキソ-3-tert-ブチル-4a,5,6,7,8,8aα-ヘキサヒドロ-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： C13H18N2O2
Molecular formula furigana： C13-H18-N2-O2
Molecular weight： 234.299
InChI：
InChI=1S/C13H18N2O2/c1-12(2,3)10-11(16)17-9-6-4-5-7-13(9,8-14)15-10/h9H,4-7H2,1-3H3/t9-,13+/m1/s1
InChI key：
ZNTLBUQMMYRZJN-RNCFNFMXSA-N
SMILES：
CC(C)(C)C1=N[C@@]2(CCCC[C@H]2OC1=O)C#N
Systematic name (3)：
- (4aS)-2-オキソ-3-tert-ブチル-4a,5,6,7,8,8aα-ヘキサヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
- (4aS,8aR)-3-tert-ブチル-2-オキソ-4a,5,6,7,8,8a-ヘキサヒドロ-2H-1,4-ベンゾオキサジン-4a-カルボニトリル
- (4aS,8aR)-3-tert-butyl-2-oxo-4a,5,6,7,8,8a-hexahydro-2H-1,4-benzoxazine-4a-carbonitrile
- (4aS)-2-Oxo-3-tert-butyl-4a,5,6,7,8,8aα-hexahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
Return to Previous Page
