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2-[(4-Ethyl-phenylcarbamoyl)-methylsulfanyl]-N-phenyl-acetamide

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

2-[(4-Ethyl-phenylcarbamoyl)-methylsulfanyl]-N-phenyl-acetamide
SpectraBase Compound ID 9oh2ILSrnXU
InChI InChI=1S/C18H20N2O2S/c1-2-14-8-10-16(11-9-14)20-18(22)13-23-12-17(21)19-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKey BKTPMQFELPRFMG-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 ERHUmWuKpN2
Name 2-[(4-Ethyl-phenylcarbamoyl)-methylsulfanyl]-N-phenyl-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 328.124549064 u
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-2-14-8-10-16(11-9-14)20-18(22)13-23-12-17(21)19-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKey BKTPMQFELPRFMG-UHFFFAOYSA-N
Molecular Weight 328.430 g/mol
SMILES C(NC=1C=CC=CC1)(=O)CSCC(NC1=CC=C(CC)C=C1)=O