Chem
J-GLOBAL ID：200907099218077168   Nikkaji number：J316.904I

1,3,5-(1,2,3,4,5,6-13C6)Cycloheptatriene-7-carboxylic acid methyl ester

1,3,5-(1,2,3,4,5,6-13C6)シクロヘプタトリエン-7-カルボン酸メチル
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： C3[13C]6H10O2
Molecular formula furigana： C9-H10-O2
Molecular weight： 156.131
InChI： InChI=1S/C9H10O2/c1-11-9(10)8-6-4-2-3-5-7-8/h2-8H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
InChI key： KBZSIBZTASZFGF-WBJZHHNVSA-N
SMILES： COC(=O)C1[13CH]=[13CH][13CH]=[13CH][13CH]=[13CH]1
Systematic name  (3)：
  • 1,3,5-(1,2,3,4,5,6-13C6)シクロヘプタトリエン-7-カルボン酸メチル
  • メチル (2,3,4,5,6,7-13C6)シクロヘプタ-2,4,6-トリエン-1-カルボキシラート
  • methyl (2,3,4,5,6,7-13C6)cyclohepta-2,4,6-triene-1-carboxylate
Other name (1)：
  • 1,3,5-(1,2,3,4,5,6-13C6)Cycloheptatriene-7-carboxylic acid methyl ester
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