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(Phenyl)[4-Hydroxy-3-coumarinyl]-(phenylmercapto)methane
SpectraBase Compound ID 1zWLLzcw9qy
InChI InChI=1S/C22H16O3S/c23-20-17-13-7-8-14-18(17)25-22(24)19(20)21(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,21,23H
InChIKey ABRBYCDUGYCXIZ-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C22H16O3S
Exact Mass 360.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9C1h3QZwSt
Name (Phenyl)[4-Hydroxy-3-coumarinyl]-(phenylmercapto)methane
Alternate Name(s) 3-[.alpha.-(Phenylthio)benzyl]-4-hydroxycoumarin 4-Hydroxy-3-[phenyl(phenylsulfanyl)methyl]-2H-chromen-2-one
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Formula C22H16O3S
InChI InChI=1S/C22H16O3S/c23-20-17-13-7-8-14-18(17)25-22(24)19(20)21(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,21,23H
InChIKey ABRBYCDUGYCXIZ-UHFFFAOYSA-N
Molecular Weight 360.427 g/mol
SMILES OC1=C(C(Oc2ccccc12)=O)C(Sc1ccccc1)c1ccccc1
SPLASH splash10-0il1-2590000000-3864b9291dc6c099b4ab
Source of Spectrum OP-29-224-2
Wiley ID 850845