Chem
J-GLOBAL ID:201207096493650320   Nikkaji number:J3.015.089I

4α-Methyl-7β-(phenylethynyl)-1,3-dioxepane-2-one

4α-メチル-7β-(フェニルエチニル)-1,3-ジオキセパン-2-オン
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: C14H14O3
Molecular formula furigana: C14-H14-O3
Molecular weight: 230.263
InChI: InChI=1S/C14H14O3/c1-11-7-9-13(17-14(15)16-11)10-8-12-5-3-2-4-6-12/h2-6,11,13H,7,9H2,1H3/t11-,13+/m1/s1
InChI key: OFPNYWWGGUWYPL-YPMHNXCESA-N
SMILES: C[C@@H]1CC[C@H](OC(=O)O1)C#Cc1ccccc1
Systematic name  (3):
  • 4α-メチル-7β-(フェニルエチニル)-1,3-ジオキセパン-2-オン
  • (4R,7S)-4-メチル-7-(2-フェニルエチニル)-1,3-ジオキセパン-2-オン
  • (4R,7S)-4-methyl-7-(2-phenylethynyl)-1,3-dioxepan-2-one
Other name (1):
  • 4α-Methyl-7β-(phenylethynyl)-1,3-dioxepane-2-one
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