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2-Acetylpyridine 4-[2,6-dimethylphenyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR

2-Acetylpyridine 4-[2,6-dimethylphenyl]-3-thiosemicarbazone
SpectraBase Compound ID 7xdlMxgJXXa
InChI InChI=1S/C16H18N4S/c1-11-7-6-8-12(2)15(11)18-16(21)20-19-13(3)14-9-4-5-10-17-14/h4-10H,1-3H3,(H2,18,20,21)/b19-13+
InChIKey IZNZDYSGZZALCY-CPNJWEJPSA-N
Mol Weight 298.41 g/mol
Molecular Formula C16H18N4S
Exact Mass 298.125218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fFcQCEduNv
Name 2-Acetylpyridine 4-[2,6-dimethylphenyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 298.125217770 u
Formula C16H18N4S
InChI InChI=1S/C16H18N4S/c1-11-7-6-8-12(2)15(11)18-16(21)20-19-13(3)14-9-4-5-10-17-14/h4-10H,1-3H3,(H2,18,20,21)/b19-13+
InChIKey IZNZDYSGZZALCY-CPNJWEJPSA-N
Molecular Weight 298.408 g/mol
SMILES C(N\N=C\(C=1C=CC=CN1)C)(NC1=C(C=CC=C1C)C)=S