Chem
J-GLOBAL ID：201807009299780420
Nikkaji number：J3.702.167I
3-(4-Chlorobutyl)-7-methylisobenzofuran-1(3H)-one
3-(4-クロロブチル)-7-メチ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： C13H15ClO2
Molecular formula furigana： C13-H15-CL-O2
Molecular weight： 238.710
InChI：
InChI=1S/C13H15ClO2/c1-9-5-4-6-10-11(7-2-3-8-14)16-13(15)12(9)10/h4-6,11H,2-3,7-8H2,1H3
InChI key：
HBIKTHQEJVTECW-UHFFFAOYSA-N
SMILES：
Cc1cccc2C(CCCCCl)OC(=O)c12
Systematic name (3)：
- 3-(4-クロロブチル)-7-メチルイソベンゾフラン-1(3H)-オン
- 3-(4-クロロブチル)-7-メチル-1,3-ジヒドロ-2-ベンゾフラン-1-オン
- 3-(4-chlorobutyl)-7-methyl-1,3-dihydro-2-benzofuran-1-one
- 3-(4-Chlorobutyl)-7-methylisobenzofuran-1(3H)-one
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