Chem
J-GLOBAL ID：200907022366110600
Nikkaji number：J1.653.572I
(1S)-1α-Nitro-2α-phenylcycloheptane
(1S)-1α-ニトロ-2α-フェニルシクロヘプタン
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： C13H17[N+]O[O-]
Molecular formula furigana： C13-H17-N-O2
Molecular weight： 219.284
InChI：
InChI=1S/C13H17NO2/c15-14(16)13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10H2/t12-,13-/m0/s1
InChI key：
MZLYZVAHCOFHBF-STQMWFEESA-N
SMILES：
[O-][N+](=O)[C@H]1CCCCC[C@H]1c1ccccc1
Systematic name (3)：
- (1S)-1α-ニトロ-2α-フェニルシクロヘプタン
- (1S,2S)-1-ニトロ-2-フェニルシクロヘプタン
- (1S,2S)-1-nitro-2-phenylcycloheptane
- (1S)-1α-Nitro-2α-phenylcycloheptane
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