Chem
J-GLOBAL ID：200907072545067960
Nikkaji number：J1.810.232C
4-Phenylbutanethioic acid S-benzyl ester
4-フェニルブタンチオ酸S-ベンジル
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： C17H18OS
Molecular formula furigana： C17-H18-O-S
Molecular weight： 270.390
InChI：
InChI=1S/C17H18OS/c18-17(19-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChI key：
KCHSDHZOVPQSQF-UHFFFAOYSA-N
SMILES：
O=C(CCCc1ccccc1)SCc1ccccc1
Systematic name (3)：
- 4-フェニルブタンチオ酸S-ベンジル
- 1-(ベンジルスルファニル)-4-フェニルブタン-1-オン
- 1-(benzylsulfanyl)-4-phenylbutan-1-one
- 4-Phenylbutanethioic acid S-benzyl ester
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