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N-(4-bromo-2-methylphenyl)-2-phenyl-2-(phenylsulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-(4-bromo-2-methylphenyl)-2-phenyl-2-(phenylsulfanyl)acetamide
SpectraBase Compound ID R3vjtG7JS6
InChI InChI=1S/C21H18BrNOS/c1-15-14-17(22)12-13-19(15)23-21(24)20(16-8-4-2-5-9-16)25-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,23,24)
InChIKey BXMDIBKZFITFMJ-UHFFFAOYSA-N
Mol Weight 412.35 g/mol
Molecular Formula C21H18BrNOS
Exact Mass 411.029248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VRtQsJah6A
Name N-(4-Bromo-2-methylphenyl)-2-phenyl-2-(phenylsulfanyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 411.029248377 u
Formula C21H18BrNOS
InChI InChI=1S/C21H18BrNOS/c1-15-14-17(22)12-13-19(15)23-21(24)20(16-8-4-2-5-9-16)25-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,23,24)
InChIKey BXMDIBKZFITFMJ-UHFFFAOYSA-N
Molecular Weight 412.345 g/mol
SMILES N(C(C(SC1=CC=CC=C1)C1=CC=CC=C1)=O)C1=C(C=C(C=C1)Br)C