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N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID KlXYCPQjrbn
InChI InChI=1S/C19H19N3OS/c23-18(21-13-16-7-3-1-4-8-16)15-24-19-20-11-12-22(19)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,21,23)
InChIKey BOPDSCSSZWTPQM-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C19H19N3OS
Exact Mass 337.124883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dvpi92dgMt0
Name N-Benzyl-2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 337.124883417 u
Formula C19H19N3OS
InChI InChI=1S/C19H19N3OS/c23-18(21-13-16-7-3-1-4-8-16)15-24-19-20-11-12-22(19)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,21,23)
InChIKey BOPDSCSSZWTPQM-UHFFFAOYSA-N
Molecular Weight 337.441 g/mol
SMILES N(C(CSC=1N(C=CN1)CC1=CC=CC=C1)=O)CC1=CC=CC=C1