Chem
J-GLOBAL ID：200907093184670893
Nikkaji number：J1.927.084J
4-Iodobenzoic acid hexyl ester
4-ヨード安息香酸ヘキシル
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： C13H17IO2
Molecular formula furigana： C13-H17-I-O2
Molecular weight： 332.181
InChI：
InChI=1S/C13H17IO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3
InChI key：
GKRXJASBZIAMBE-UHFFFAOYSA-N
SMILES：
CCCCCCOC(=O)c1ccc(I)cc1
Systematic name (3)：
- 4-ヨード安息香酸ヘキシル
- ヘキシル 4-ヨードベンゾアート
- hexyl 4-iodobenzoate
- 4-Iodobenzoic acid hexyl ester
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