Chem
J-GLOBAL ID：200907053987162186   Nikkaji number：J1.894.956C

2β-[(S)-α-Hydroxy-3-nitrobenzyl]cyclohexanone

2β-[(S)-α-ヒドロキシ-3-ニトロベンジル]シクロヘキサノン
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： C13H15[N+]O3[O-]
Molecular formula furigana： C13-H15-N-O4
Molecular weight： 249.266
InChI： InChI=1S/C13H15NO4/c15-12-7-2-1-6-11(12)13(16)9-4-3-5-10(8-9)14(17)18/h3-5,8,11,13,16H,1-2,6-7H2/t11-,13+/m0/s1
InChI key： OFFGBOIAXPIJKZ-WCQYABFASA-N
SMILES： O[C@@H]([C@H]1CCCCC1=O)c1cccc(c1)[N+](=O)[O-]
Systematic name  (10)：
  • (2R)-2-[(S)-α-ヒドロキシ-3-ニトロベンジル]シクロヘキサノン
  • (2R)-2β-[(S)-α-ヒドロキシ-3-ニトロベンジル]シクロヘキサノン
  • 2β-[(S)-α-ヒドロキシ-3-ニトロベンジル]シクロヘキサノン
  • (2R)-2-[(αS)-α-ヒドロキシ-3-ニトロベンジル]シクロヘキサノン
  • (R)-2β-[(S)-α-ヒドロキシ-3-ニトロベンジル]シクロヘキサノン
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Other name (8)：
  • (2R)-2-[(S)-α-Hydroxy-3-nitrobenzyl]cyclohexanone
  • (2R)-2β-[(S)-α-Hydroxy-3-nitrobenzyl]cyclohexanone
  • 2β-[(S)-α-Hydroxy-3-nitrobenzyl]cyclohexanone
  • (2R)-2-[(αS)-α-Hydroxy-3-nitrobenzyl]cyclohexanone
  • (R)-2β-[(S)-α-Hydroxy-3-nitrobenzyl]cyclohexanone
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Thsaurus map：
Thesaurus Map

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