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N-(2,6-Dimethyl-phenyl)-2-phenylcarbamoylmethylsulfanyl-acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-(2,6-Dimethyl-phenyl)-2-phenylcarbamoylmethylsulfanyl-acetamide
SpectraBase Compound ID 2kGxwQ4TcD
InChI InChI=1S/C18H20N2O2S/c1-13-7-6-8-14(2)18(13)20-17(22)12-23-11-16(21)19-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKey JJVKTVIOJWBWOQ-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdIu2taN7Op
Name N-(2,6-Dimethyl-phenyl)-2-phenylcarbamoylmethylsulfanyl-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 328.124549064 u
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-13-7-6-8-14(2)18(13)20-17(22)12-23-11-16(21)19-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKey JJVKTVIOJWBWOQ-UHFFFAOYSA-N
Molecular Weight 328.430 g/mol
SMILES C1(NC(=O)CSCC(NC2=CC=CC=C2)=O)=C(C=CC=C1C)C