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Ethyl 2-benzoyl-4-(phenylthiocarbonyl)butanoate
SpectraBase Compound ID 5V8X9AA6G8s
InChI InChI=1S/C19H20O4S/c1-2-23-19(21)17(18(20)15-9-5-3-6-10-15)13-14-24(22)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKey JMGMLJJFVXOLFC-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ULgXytsbT3
Name Ethyl 2-benzoyl-4-(phenylthiocarbonyl)butanoate
Alternate Name(s) ethyl 2-benzoyl-4-(phenylsulfinyl)butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-2-23-19(21)17(18(20)15-9-5-3-6-10-15)13-14-24(22)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKey JMGMLJJFVXOLFC-UHFFFAOYSA-N
Molecular Weight 344.425 g/mol
SMILES C(C(=O)c1ccccc1)(C(=O)OCC)CCS(=O)c1ccccc1
SPLASH splash10-00kr-0090000000-7c33a0c8d8dc264f086f
Source of Spectrum KC-1992-945-9
Wiley ID 776417