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2-[(2S,6S)-6-methyl-2-oxanyl]-2-[(R)-(4-methylphenyl)sulfinyl]acetic acid
SpectraBase Compound ID J8xYH5lUAMr
InChI InChI=1S/C15H20O4S/c1-10-6-8-12(9-7-10)20(18)14(15(16)17)13-5-3-4-11(2)19-13/h6-9,11,13-14H,3-5H2,1-2H3,(H,16,17)/t11-,13-,14?,20?/m0/s1
InChIKey REMTTXWGGRGZJR-ZSUXMKAISA-N
Mol Weight 296.38 g/mol
Molecular Formula C15H20O4S
Exact Mass 296.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILuijWefwCE
Name 2-[(2S,6S)-6-methyl-2-oxanyl]-2-[(R)-(4-methylphenyl)sulfinyl]acetic acid
Alternate Name(s) 2-[(2S,6S)-6-methyloxan-2-yl]-2-[(R)-(4-methylphenyl)sulfinyl]acetic acid 2-[(2S,6S)-6-methyloxan-2-yl]-2-[(R)-(4-methylphenyl)sulfinyl]ethanoic acid 2-[(2S,6S)-6-methyltetrahydropyran-2-yl]-2-[(R)-p-tolylsulfinyl]acetic acid
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Formula C15H20O4S
InChI InChI=1S/C15H20O4S/c1-10-6-8-12(9-7-10)20(18)14(15(16)17)13-5-3-4-11(2)19-13/h6-9,11,13-14H,3-5H2,1-2H3,(H,16,17)/t11-,13-,14?,20?/m0/s1
InChIKey REMTTXWGGRGZJR-ZSUXMKAISA-N
Molecular Weight 296.381 g/mol
SMILES OC(C([S@](c1ccc(cc1)C)=O)[C@]1(O[C@@](C)(CCC1)[H])[H])=O
SPLASH splash10-008i-9700000000-9a2709e05dbaa8f559d3
Source of Spectrum F-68-7786-39
Wiley ID 1573513