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(6S)-6-hydroxy-7-[(R)-(4-methylphenyl)sulfinyl]-2-heptanone
SpectraBase Compound ID AJ0YRqledZt
InChI InChI=1S/C14H20O3S/c1-11-6-8-14(9-7-11)18(17)10-13(16)5-3-4-12(2)15/h6-9,13,16H,3-5,10H2,1-2H3/t13-,18?/m0/s1
InChIKey PGHHZPHDVKLYPQ-FVRDMJKUSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EspReiGrZLf
Name (6S)-6-hydroxy-7-[(R)-(4-methylphenyl)sulfinyl]-2-heptanone
Alternate Name(s) (6S)-6-hydroxy-7-[(R)-(4-methylphenyl)sulfinyl]heptan-2-one (6S)-6-hydroxy-7-[(R)-p-tolylsulfinyl]heptan-2-one (6S)-7-[(R)-(4-methylphenyl)sulfinyl]-6-oxidanyl-heptan-2-one
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Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-11-6-8-14(9-7-11)18(17)10-13(16)5-3-4-12(2)15/h6-9,13,16H,3-5,10H2,1-2H3/t13-,18?/m0/s1
InChIKey PGHHZPHDVKLYPQ-FVRDMJKUSA-N
Molecular Weight 268.371 g/mol
SMILES O[C@](C[S@](c1ccc(cc1)C)=O)(CCCC(=O)C)[H]
SPLASH splash10-007c-7910000000-807393a83d9afb68cbd6
Source of Spectrum F-68-7785-18
Wiley ID 1573519