Chem
J-GLOBAL ID：201807020266992611
Nikkaji number：J3.702.162H
3-Pentylisobenzofuran-1(3H)-one
3-ペン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： C13H16O2
Molecular formula furigana： C13-H16-O2
Molecular weight： 204.269
InChI：
InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-8,12H,2-4,9H2,1H3
InChI key：
BQUYONPOMYBMQZ-UHFFFAOYSA-N
SMILES：
CCCCCC1OC(=O)c2ccccc12
Systematic name (3)：
- 3-ペンチルイソベンゾフラン-1(3H)-オン
- 3-ペンチル-1,3-ジヒドロ-2-ベンゾフラン-1-オン
- 3-pentyl-1,3-dihydro-2-benzofuran-1-one
- 3-Pentylisobenzofuran-1(3H)-one
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