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2-[1'-Hydroxy-3'-phenylpropyl]-1-[2"-(methylthio)phenyl]-propenone
SpectraBase Compound ID JUkTII8v3gT
InChI InChI=1S/C19H20O2S/c1-14(17(20)13-12-15-8-4-3-5-9-15)19(21)16-10-6-7-11-18(16)22-2/h3-11,17,20H,1,12-13H2,2H3
InChIKey VUDZUAWDAVORQR-UHFFFAOYSA-N
Mol Weight 312.43 g/mol
Molecular Formula C19H20O2S
Exact Mass 312.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1szdjoU9NhL
Name 2-[1'-Hydroxy-3'-phenylpropyl]-1-[2"-(methylthio)phenyl]-propenone
Alternate Name(s) 2-(1-hydroxy-3-phenylpropyl)-1-[2-(methylsulfanyl)phenyl]-2-propen-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H20O2S
InChI InChI=1S/C19H20O2S/c1-14(17(20)13-12-15-8-4-3-5-9-15)19(21)16-10-6-7-11-18(16)22-2/h3-11,17,20H,1,12-13H2,2H3
InChIKey VUDZUAWDAVORQR-UHFFFAOYSA-N
Molecular Weight 312.427 g/mol
SMILES OC(C(C(c1c(SC)cccc1)=O)=C)CCc1ccccc1
SPLASH splash10-0006-9000000000-8ff0b716279f4ec50627
Source of Spectrum K1-2003-4858-6
Wiley ID 1521759