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2-[(4-Methoxy-benzylcarbamoyl)-methylsulfanyl]-N-phenyl-acetamide

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

2-[(4-Methoxy-benzylcarbamoyl)-methylsulfanyl]-N-phenyl-acetamide
SpectraBase Compound ID AfWrU1XixIq
InChI InChI=1S/C18H20N2O3S/c1-23-16-9-7-14(8-10-16)11-19-17(21)12-24-13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKey PKXQOVGGRPMSOG-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C18H20N2O3S
Exact Mass 344.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXBVPjt3e6A
Name 2-[(4-Methoxy-benzylcarbamoyl)-methylsulfanyl]-N-phenyl-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 344.119463683 u
Formula C18H20N2O3S
InChI InChI=1S/C18H20N2O3S/c1-23-16-9-7-14(8-10-16)11-19-17(21)12-24-13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKey PKXQOVGGRPMSOG-UHFFFAOYSA-N
Molecular Weight 344.429 g/mol
SMILES C(NC1=CC=CC=C1)(=O)CSCC(NCC=1C=CC(OC)=CC1)=O