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3-Benzylaminocarbonyl-2-(2-oxocyclohexylthio)pyridine

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

3-Benzylaminocarbonyl-2-(2-oxocyclohexylthio)pyridine
SpectraBase Compound ID ILD1lip4vtQ
InChI InChI=1S/C19H20N2O2S/c22-16-10-4-5-11-17(16)24-19-15(9-6-12-20-19)18(23)21-13-14-7-2-1-3-8-14/h1-3,6-9,12,17H,4-5,10-11,13H2,(H,21,23)
InChIKey MAUXOGMIMUNKJU-UHFFFAOYSA-N
Mol Weight 340.44 g/mol
Molecular Formula C19H20N2O2S
Exact Mass 340.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25IlYunNwUf
Name 3-Benzylaminocarbonyl-2-(2-oxocyclohexylthio)pyridine
Comments Computed using HOSE algorithm
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Exact Mass 340.124549064 u
Formula C19H20N2O2S
InChI InChI=1S/C19H20N2O2S/c22-16-10-4-5-11-17(16)24-19-15(9-6-12-20-19)18(23)21-13-14-7-2-1-3-8-14/h1-3,6-9,12,17H,4-5,10-11,13H2,(H,21,23)
InChIKey MAUXOGMIMUNKJU-UHFFFAOYSA-N
Molecular Weight 340.441 g/mol
SMILES C=1(C(=CC=CN1)C(=O)NCC=1C=CC=CC1)SC1C(CCCC1)=O