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2-Acetylpyridine 4-methyl-4-.beta.-phenethylthiosemicarbazone

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Acetylpyridine 4-methyl-4-.beta.-phenethylthiosemicarbazone
SpectraBase Compound ID 4V5XnrNezc6
InChI InChI=1S/C17H20N4S/c1-14(16-10-6-7-12-18-16)19-20-17(22)21(2)13-11-15-8-4-3-5-9-15/h3-10,12H,11,13H2,1-2H3,(H,20,22)/b19-14-
InChIKey ZCTGZDKANRDHNN-RGEXLXHISA-N
Mol Weight 312.44 g/mol
Molecular Formula C17H20N4S
Exact Mass 312.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOyFfnMpBxB
Name 2-Acetylpyridine 4-methyl-4-.beta.-phenethylthiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 312.140867834 u
Formula C17H20N4S
InChI InChI=1S/C17H20N4S/c1-14(16-10-6-7-12-18-16)19-20-17(22)21(2)13-11-15-8-4-3-5-9-15/h3-10,12H,11,13H2,1-2H3,(H,20,22)/b19-14-
InChIKey ZCTGZDKANRDHNN-RGEXLXHISA-N
Molecular Weight 312.435 g/mol
SMILES CN(C(N\N=C/(C1=CC=CC=N1)C)=S)CCC1=CC=CC=C1