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2-Acetylpyridine 4-[4-carbethoxyphenyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR

2-Acetylpyridine 4-[4-carbethoxyphenyl]-3-thiosemicarbazone
SpectraBase Compound ID ICsJBeZiGwQ
InChI InChI=1S/C17H18N4O2S/c1-3-23-16(22)13-7-9-14(10-8-13)19-17(24)21-20-12(2)15-6-4-5-11-18-15/h4-11H,3H2,1-2H3,(H2,19,21,24)/b20-12+
InChIKey GQVDFNLVGVXGED-UDWIEESQSA-N
Mol Weight 342.42 g/mol
Molecular Formula C17H18N4O2S
Exact Mass 342.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASXY4k28AQH
Name 2-Acetylpyridine 4-[4-carbethoxyphenyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 342.115047008 u
Formula C17H18N4O2S
InChI InChI=1S/C17H18N4O2S/c1-3-23-16(22)13-7-9-14(10-8-13)19-17(24)21-20-12(2)15-6-4-5-11-18-15/h4-11H,3H2,1-2H3,(H2,19,21,24)/b20-12+
InChIKey GQVDFNLVGVXGED-UDWIEESQSA-N
Molecular Weight 342.417 g/mol
SMILES C(=S)(NC1=CC=C(C=C1)C(OCC)=O)N\N=C/(C)C1=NC=CC=C1