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[4R,S(R)]-4-Hydroxy-1-phenyl-5-(p-tolylsulfinyl)pentanone

View entire compound with spectra: 1 MS (GC)

[4R,S(R)]-4-Hydroxy-1-phenyl-5-(p-tolylsulfinyl)pentanone
SpectraBase Compound ID HrnC82VOcYd
InChI InChI=1S/C18H20O3S/c1-14-7-10-17(11-8-14)22(21)13-16(19)9-12-18(20)15-5-3-2-4-6-15/h2-8,10-11,16,19H,9,12-13H2,1H3/t16-,22?/m1/s1
InChIKey CENBUKBUARJUMD-XESZBRCGSA-N
Mol Weight 316.42 g/mol
Molecular Formula C18H20O3S
Exact Mass 316.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0UTnuIVTF2
Name [4R,S(R)]-4-Hydroxy-1-phenyl-5-(p-tolylsulfinyl)pentanone
Alternate Name(s) (4R)-4-hydroxy-5-[(R)-(4-methylphenyl)sulfinyl]-1-phenyl-1-pentanone (4R)-4-hydroxy-5-[(R)-(4-methylphenyl)sulfinyl]-1-phenylpentan-1-one (4R)-5-[(R)-(4-methylphenyl)sulfinyl]-4-oxidanyl-1-phenyl-pentan-1-one
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Formula C18H20O3S
InChI InChI=1S/C18H20O3S/c1-14-7-10-17(11-8-14)22(21)13-16(19)9-12-18(20)15-5-3-2-4-6-15/h2-8,10-11,16,19H,9,12-13H2,1H3/t16-,22?/m1/s1
InChIKey CENBUKBUARJUMD-XESZBRCGSA-N
Molecular Weight 316.415 g/mol
SMILES O[C@@](C[S@](c1ccc(cc1)C)=O)(CCC(=O)c1ccccc1)[H]
SPLASH splash10-053r-4910000000-51cecb6cd13e8f6afd26
Source of Spectrum F-68-7785-14
Wiley ID 1573522