Chem
J-GLOBAL ID：200907002450688188
Nikkaji number：J1.114.876J
(1S,3aβ,7aα)-Octahydro-2H-isoindole-1-carboxylic acid
(1S,3aβ,7aα)-オクタヒドロ-2H-イソインドール-1-カルボン酸
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： C9H15NO2
Molecular formula furigana： C9-H15-N-O2
Molecular weight： 169.224
InChI：
InChI=1S/C9H15NO2/c11-9(12)8-7-4-2-1-3-6(7)5-10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
InChI key：
WSMBEQKQQASPPL-RNJXMRFFSA-N
SMILES：
OC(=O)[C@H]1NC[C@@H]2CCCC[C@@H]12
Systematic name (3)：
- (1S,3aβ,7aα)-オクタヒドロ-2H-イソインドール-1-カルボン酸
- (1S,3aR,7aR)-オクタヒドロ-1H-イソインドール-1-カルボン酸
- (1S,3aR,7aR)-octahydro-1H-isoindole-1-carboxylic acid
- (1S,3aβ,7aα)-Octahydro-2H-isoindole-1-carboxylic acid
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