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2-[(R)-(p-Tolylsulfinyl)methyl]tetrahydro-2H-pyran isomer
SpectraBase Compound ID JlRmzwRT8Y9
InChI InChI=1S/C13H18O2S/c1-11-5-7-13(8-6-11)16(14)10-12-4-2-3-9-15-12/h5-8,12H,2-4,9-10H2,1H3
InChIKey IKWJWYHMCSUMDG-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDtPHQe9BYo
Name 2-[(R)-(p-Tolylsulfinyl)methyl]tetrahydro-2H-pyran isomer
Alternate Name(s) 2-[(R)-(p-Tolylsulfinyl)methyl]tetrahydro-2H-pyran 2-{[(4-methylphenyl)sulfinyl]methyl}tetrahydro-2H-pyran 4-methylphenyl tetrahydro-2H-pyran-2-ylmethyl sulfoxide
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-11-5-7-13(8-6-11)16(14)10-12-4-2-3-9-15-12/h5-8,12H,2-4,9-10H2,1H3
InChIKey IKWJWYHMCSUMDG-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C([S@](c1ccc(cc1)C)=O)C1OCCCC1
SPLASH splash10-0002-9010000000-2cbab5bb11a87e2634eb
Source of Spectrum F-56-7933-4
Wiley ID 858750