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N-[4'-Acyl-(1,1'-biphenyl)-4-yl]-S-methyl-S-phenylsulfoximine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-[4'-Acyl-(1,1'-biphenyl)-4-yl]-S-methyl-S-phenylsulfoximine
SpectraBase Compound ID 3xMnTXyPIYa
InChI InChI=1S/C21H19NO2S/c1-16(23)17-8-10-18(11-9-17)19-12-14-20(15-13-19)22-25(2,24)21-6-4-3-5-7-21/h3-15H,1-2H3
InChIKey KGHICOVVSCCDSX-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C21H19NO2S
Exact Mass 349.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GkASOtmVfS
Name N-[4'-Acyl-(1,1'-biphenyl)-4-yl]-S-methyl-S-phenylsulfoximine
Comments Computed using HOSE algorithm
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Exact Mass 349.113650028 u
Formula C21H19NO2S
InChI InChI=1S/C21H19NO2S/c1-16(23)17-8-10-18(11-9-17)19-12-14-20(15-13-19)22-25(2,24)21-6-4-3-5-7-21/h3-15H,1-2H3
InChIKey KGHICOVVSCCDSX-UHFFFAOYSA-N
Molecular Weight 349.448 g/mol
SMILES C1=CC(=CC=C1N=S(C)(=O)C1=CC=CC=C1)C1=CC=C(C=C1)C(=O)C