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2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide

View entire compound with spectra: 2 NMR

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide
SpectraBase Compound ID IWKgibfgTuI
InChI InChI=1S/C16H12N4OS/c17-9-11-5-7-12(8-6-11)18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,10H2,(H,18,21)(H,19,20)
InChIKey XYUODJWSPSFGCC-UHFFFAOYSA-N
Mol Weight 308.36 g/mol
Molecular Formula C16H12N4OS
Exact Mass 308.073182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVDeBF6aqYy
Name 2-(1H-Benzimidazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 308.073182195 u
Formula C16H12N4OS
InChI InChI=1S/C16H12N4OS/c17-9-11-5-7-12(8-6-11)18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,10H2,(H,18,21)(H,19,20)
InChIKey XYUODJWSPSFGCC-UHFFFAOYSA-N
Molecular Weight 308.359 g/mol
SMILES N1C2=CC=CC=C2N=C1SCC(NC1=CC=C(C#N)C=C1)=O