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2-[1'-Hydroxy-1'-phenylmethyl]-1-[2"-(methylthio)phenyl]-propenone
SpectraBase Compound ID 9H21YxfzGKb
InChI InChI=1S/C17H16O2S/c1-12(16(18)13-8-4-3-5-9-13)17(19)14-10-6-7-11-15(14)20-2/h3-11,16,18H,1H2,2H3
InChIKey DSKMSWHEXZWESI-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExK8recVlOG
Name 2-[1'-Hydroxy-1'-phenylmethyl]-1-[2"-(methylthio)phenyl]-propenone
Alternate Name(s) 2-[hydroxy(phenyl)methyl]-1-[2-(methylsulfanyl)phenyl]-2-propen-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c1-12(16(18)13-8-4-3-5-9-13)17(19)14-10-6-7-11-15(14)20-2/h3-11,16,18H,1H2,2H3
InChIKey DSKMSWHEXZWESI-UHFFFAOYSA-N
Molecular Weight 284.373 g/mol
SMILES OC(C(C(c1c(SC)cccc1)=O)=C)c1ccccc1
SPLASH splash10-000i-0090000000-96dfb49967fd503e815e
Source of Spectrum K1-2003-4858-6
Wiley ID 1521760