Chem
J-GLOBAL ID：200907014691239960
Nikkaji number：J2.183.821G
4-Isobutenylbenzoic acid ethyl ester
4-イソブテニル安息香酸エチル
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： C13H16O2
Molecular formula furigana： C13-H16-O2
Molecular weight： 204.269
InChI：
InChI=1S/C13H16O2/c1-4-15-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-9H,4H2,1-3H3
InChI key：
BDMUXDDZSLBHTR-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1ccc(C=C(C)C)cc1
Systematic name (3)：
- 4-イソブテニル安息香酸エチル
- エチル 4-(2-メチルプロパ-1-エン-1-イル)ベンゾアート
- ethyl 4-(2-methylprop-1-en-1-yl)benzoate
- 4-Isobutenylbenzoic acid ethyl ester
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