Chem
J-GLOBAL ID：200907047939969272
Nikkaji number：J822.064F
3,3-Dimethyl-6-isopropylisobenzofuran-1(3H)-one
3,3-ジメチル-6-イソプロピルイソベンゾフラン-1(3H)-オン
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： C13H16O2
Molecular formula furigana： C13-H16-O2
Molecular weight： 204.269
InChI：
InChI=1S/C13H16O2/c1-8(2)9-5-6-11-10(7-9)12(14)15-13(11,3)4/h5-8H,1-4H3
InChI key：
JDKGSLMCNXAOEX-UHFFFAOYSA-N
SMILES：
CC(C)c1ccc2c(c1)C(=O)OC2(C)C
Systematic name (3)：
- 3,3-ジメチル-6-イソプロピルイソベンゾフラン-1(3H)-オン
- 3,3-ジメチル-6-(プロパン-2-イル)-1,3-ジヒドロ-2-ベンゾフラン-1-オン
- 3,3-dimethyl-6-(propan-2-yl)-1,3-dihydro-2-benzofuran-1-one
- 3,3-Dimethyl-6-isopropylisobenzofuran-1(3H)-one
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