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

View entire compound with spectra: 1 NMR

2-Acetylpyridine 4-[4-nitrophenyl]-3-thiosemicarbazone
SpectraBase Compound ID 4yAe2MPwVOz
InChI InChI=1S/C14H13N5O2S/c1-10(13-4-2-3-9-15-13)17-18-14(22)16-11-5-7-12(8-6-11)19(20)21/h2-9H,1H3,(H2,16,18,22)/b17-10+
InChIKey PTOHINKLMXPSKL-LICLKQGHSA-N
Mol Weight 315.35 g/mol
Molecular Formula C14H13N5O2S
Exact Mass 315.078996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WjhDBZ40va
Name 2-Acetylpyridine 4-[4-nitrophenyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 315.078995851 u
Formula C14H13N5O2S
InChI InChI=1S/C14H13N5O2S/c1-10(13-4-2-3-9-15-13)17-18-14(22)16-11-5-7-12(8-6-11)19(20)21/h2-9H,1H3,(H2,16,18,22)/b17-10+
InChIKey PTOHINKLMXPSKL-LICLKQGHSA-N
Molecular Weight 315.351 g/mol
SMILES C(=S)(NC1=CC=C(C=C1)N(=O)=O)N\N=C/(C)C1=NC=CC=C1