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1-methyl-3-[(S)-(4-methylphenyl)sulfinyl]-4H-pyridine
SpectraBase Compound ID ygkeXlJeIv
InChI InChI=1S/C13H15NOS/c1-11-5-7-12(8-6-11)16(15)13-4-3-9-14(2)10-13/h3,5-10H,4H2,1-2H3
InChIKey NQEQUSXMTIUBMN-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Euw3SRlTZC
Name 1-methyl-3-[(S)-(4-methylphenyl)sulfinyl]-4H-pyridine
Alternate Name(s) 1-methyl-3-[(S)-p-tolylsulfinyl]-4H-pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c1-11-5-7-12(8-6-11)16(15)13-4-3-9-14(2)10-13/h3,5-10H,4H2,1-2H3
InChIKey NQEQUSXMTIUBMN-UHFFFAOYSA-N
Molecular Weight 233.329 g/mol
SMILES C1([S@](c2ccc(cc2)C)=O)=CN(C)C=CC1
SPLASH splash10-014i-0090000000-922440b3ca7f3b614204
Source of Spectrum E1-44-271-2
Wiley ID 1553352