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(7S)-1-Methyl-p-tolylsulfinyl-2,6-dioxabicyclo[2.2.2]octane
SpectraBase Compound ID ItEKXQBKrYk
InChI InChI=1S/C14H18O3S/c1-11-3-5-12(6-4-11)18(15)14-8-7-13(2,9-16-14)10-17-14/h3-6H,7-10H2,1-2H3
InChIKey OHZOCOVFCINBQC-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 IjuSnwiuFb0
Name (7S)-1-Methyl-p-tolylsulfinyl-2,6-dioxabicyclo[2.2.2]octane
Alternate Name(s) (7R)-1-Methyl-p-tolylsulfinyl-2,6-dioxabicyclo[2.2.2]octane 4-methyl-1-[(4-methylphenyl)sulfinyl]-2,6-dioxabicyclo[2.2.2]octane 4-methyl-2,6-dioxabicyclo[2.2.2]oct-1-yl 4-methylphenyl sulfoxide
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-11-3-5-12(6-4-11)18(15)14-8-7-13(2,9-16-14)10-17-14/h3-6H,7-10H2,1-2H3
InChIKey OHZOCOVFCINBQC-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES C12(S(c3ccc(cc3)C)=O)OCC(CC1)(C)CO2
SPLASH splash10-004i-0900000000-e7edee2481d8ebf62aa9
Source of Spectrum E1-41-342-15
Wiley ID 1551876