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(Rs)-1-(p-Tolylsulfinyl)methyl-2,6-dioxabicyclo[2.2.2]octane
SpectraBase Compound ID DQv6Gh7hIno
InChI InChI=1S/C14H18O3S/c1-11-2-4-13(5-3-11)18(15)10-14-7-6-12(8-16-14)9-17-14/h2-5,12H,6-10H2,1H3
InChIKey JXPBSBVUZNNVQK-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YsA2AomHXe
Name (Rs)-1-(p-Tolylsulfinyl)methyl-2,6-dioxabicyclo[2.2.2]octane
Alternate Name(s) 1-{[(4-methylphenyl)sulfinyl]methyl}-2,6-dioxabicyclo[2.2.2]octane 2,6-dioxabicyclo[2.2.2]oct-1-ylmethyl 4-methylphenyl sulfoxide
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-11-2-4-13(5-3-11)18(15)10-14-7-6-12(8-16-14)9-17-14/h2-5,12H,6-10H2,1H3
InChIKey JXPBSBVUZNNVQK-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES C12(OCC(CO2)CC1)CS(=O)c1ccc(cc1)C
SPLASH splash10-004i-0910000000-0a0bf7532a9769acd1e2
Source of Spectrum E1-44-1150-6
Wiley ID 1553415