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(5R)-2-methyl-5,6-bis(oxidanyl)-2-phenylsulfanyl-hexan-3-one
SpectraBase Compound ID 3KonvtmqNZp
InChI InChI=1S/C13H18O3S/c1-13(2,12(16)8-10(15)9-14)17-11-6-4-3-5-7-11/h3-7,10,14-15H,8-9H2,1-2H3/t10-/m1/s1
InChIKey CVGOWQFQBKCOKR-SNVBAGLBSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HZGjekHWyB
Name (5R)-2-methyl-5,6-bis(oxidanyl)-2-phenylsulfanyl-hexan-3-one
Alternate Name(s) (5R)-5,6-dihydroxy-2-methyl-2-(phenylthio)-3-hexanone (5R)-5,6-dihydroxy-2-methyl-2-(phenylthio)hexan-3-one (5R)-5,6-dihydroxy-2-methyl-2-phenylsulfanyl-hexan-3-one
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-13(2,12(16)8-10(15)9-14)17-11-6-4-3-5-7-11/h3-7,10,14-15H,8-9H2,1-2H3/t10-/m1/s1
InChIKey CVGOWQFQBKCOKR-SNVBAGLBSA-N
Molecular Weight 254.344 g/mol
SMILES O[C@@](CO)(CC(C(Sc1ccccc1)(C)C)=O)[H]
SPLASH splash10-0pb9-0900000000-16ae685139c60bc99f83
Source of Spectrum K-2002-2640-20
Wiley ID 1613259