Chem
J-GLOBAL ID：200907036309913218   Nikkaji number：J1.879.092K

4-(1-Phenyl-2-nitroethoxy)-1-butyne

4-(1-フェニル-2-ニトロエトキシ)-1-ブチン
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： C12H13[N+]O2[O-]
Molecular formula furigana： C12-H13-N-O3
Molecular weight： 219.240
InChI： InChI=1S/C12H13NO3/c1-2-3-9-16-12(10-13(14)15)11-7-5-4-6-8-11/h1,4-8,12H,3,9-10H2
InChI key： IJLQFLXCXMGMLC-UHFFFAOYSA-N
SMILES： [O-][N+](=O)CC(OCCC#C)c1ccccc1
Systematic name  (3)：
  • 4-(1-フェニル-2-ニトロエトキシ)-1-ブチン
  • [1-(ブタ-3-イン-1-イルオキシ)-2-ニトロエチル]ベンゼン
  • [1-(but-3-yn-1-yloxy)-2-nitroethyl]benzene
Other name (1)：
  • 4-(1-Phenyl-2-nitroethoxy)-1-butyne
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