Chem
J-GLOBAL ID：200907016429628150
Nikkaji number：J1.519.732C
5-Isopropyl-1,4-cycloheptadiene-1-carboxylic acid methyl ester
5-イソプロピル-1,4-シクロヘプタジエン-1-カルボン酸メチル
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： C12H18O2
Molecular formula furigana： C12-H18-O2
Molecular weight： 194.274
InChI：
InChI=1S/C12H18O2/c1-9(2)10-5-4-6-11(8-7-10)12(13)14-3/h5-6,9H,4,7-8H2,1-3H3
InChI key：
QKROOOFMTTZRQL-UHFFFAOYSA-N
SMILES：
COC(=O)C1=CCC=C(CC1)C(C)C
Systematic name (3)：
- 5-イソプロピル-1,4-シクロヘプタジエン-1-カルボン酸メチル
- メチル 5-(プロパン-2-イル)シクロヘプタ-1,4-ジエン-1-カルボキシラート
- methyl 5-(propan-2-yl)cyclohepta-1,4-diene-1-carboxylate
- 5-Isopropyl-1,4-cycloheptadiene-1-carboxylic acid methyl ester
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