Chem
J-GLOBAL ID：200907001592576593
Nikkaji number：J2.383.549E
(S)-1-Hydroxy-1-(4-nitrophenyl)-3-pentanone
(S)-1-ヒドロキシ-1-(4-ニトロフェニル)-3-ペンタノン
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： C11H13[N+]O3[O-]
Molecular formula furigana： C11-H13-N-O4
Molecular weight： 223.228
InChI：
InChI=1S/C11H13NO4/c1-2-10(13)7-11(14)8-3-5-9(6-4-8)12(15)16/h3-6,11,14H,2,7H2,1H3/t11-/m0/s1
InChI key：
SGCAVRWAYDAZQQ-NSHDSACASA-N
SMILES：
CCC(=O)C[C@H](O)c1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- (S)-1-ヒドロキシ-1-(4-ニトロフェニル)-3-ペンタノン
- (1S)-1-ヒドロキシ-1-(4-ニトロフェニル)ペンタン-3-オン
- (1S)-1-hydroxy-1-(4-nitrophenyl)pentan-3-one
- (S)-1-Hydroxy-1-(4-nitrophenyl)-3-pentanone
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