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1-(1-benzyl-4H-pyridin-3-yl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanone
SpectraBase Compound ID 2S2uRODLoLq
InChI InChI=1S/C21H21NO2S/c1-17-9-11-20(12-10-17)25(24)16-21(23)19-8-5-13-22(15-19)14-18-6-3-2-4-7-18/h2-7,9-13,15H,8,14,16H2,1H3
InChIKey HAJIXNBJGDIXDO-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fb9MCnMoNRF
Name 1-(1-benzyl-4H-pyridin-3-yl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanone
Alternate Name(s) 1-(1-benzyl-4H-pyridin-3-yl)-2-[(R)-p-tolylsulfinyl]ethanone 2-[(R)-(4-methylphenyl)sulfinyl]-1-[1-(phenylmethyl)-4H-pyridin-3-yl]ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO2S
InChI InChI=1S/C21H21NO2S/c1-17-9-11-20(12-10-17)25(24)16-21(23)19-8-5-13-22(15-19)14-18-6-3-2-4-7-18/h2-7,9-13,15H,8,14,16H2,1H3
InChIKey HAJIXNBJGDIXDO-UHFFFAOYSA-N
Molecular Weight 351.464 g/mol
SMILES C1(=CN(Cc2ccccc2)C=CC1)C(C[S@](c1ccc(cc1)C)=O)=O
SPLASH splash10-0f8i-0009000000-9fc218de890f9b640700
Source of Spectrum E1-44-272-3
Wiley ID 1553350