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(+)-Methyl [(S)R]-5-Oxo-6-(p-tolylsulfinyl)hexanoate
SpectraBase Compound ID LWa8uWwXUXb
InChI InChI=1S/C14H18O4S/c1-11-6-8-13(9-7-11)19(17)10-12(15)4-3-5-14(16)18-2/h6-9H,3-5,10H2,1-2H3
InChIKey TZXUKRPXQCEUCJ-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvGUZEKRy61
Name (+)-Methyl [(S)R]-5-Oxo-6-(p-tolylsulfinyl)hexanoate
Alternate Name(s) Methyl 6-[(4-methylphenyl)sulfinyl]-5-oxohexanoate
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Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c1-11-6-8-13(9-7-11)19(17)10-12(15)4-3-5-14(16)18-2/h6-9H,3-5,10H2,1-2H3
InChIKey TZXUKRPXQCEUCJ-UHFFFAOYSA-N
Molecular Weight 282.354 g/mol
SMILES C([S@@](c1ccc(cc1)C)=O)C(=O)CCCC(=O)OC
SPLASH splash10-000i-1900000000-207e5748e73e0d32d2cd
Source of Spectrum J-56-2320-11
Wiley ID 1285604