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di-(2-Pyridyl)ketone 4-[2-pyridyl]-3-thiosemicarbazone
SpectraBase Compound ID EF6q8GlF0yk
InChI InChI=1S/C17H14N6S/c24-17(21-15-9-3-6-12-20-15)23-22-16(13-7-1-4-10-18-13)14-8-2-5-11-19-14/h1-12H,(H2,20,21,23,24)
InChIKey VDGYKIWJKMJDBQ-UHFFFAOYSA-N
Mol Weight 334.4 g/mol
Molecular Formula C17H14N6S
Exact Mass 334.100066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WhxCj7Iuqb
Name di-(2-Pyridyl)ketone 4-[2-pyridyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 334.100065649 u
Formula C17H14N6S
InChI InChI=1S/C17H14N6S/c24-17(21-15-9-3-6-12-20-15)23-22-16(13-7-1-4-10-18-13)14-8-2-5-11-19-14/h1-12H,(H2,20,21,23,24)
InChIKey VDGYKIWJKMJDBQ-UHFFFAOYSA-N
Molecular Weight 334.401 g/mol
SMILES C(=NNC(NC1=CC=CC=N1)=S)(C1=CC=CC=N1)C1=CC=CC=N1