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

View entire compound with spectra: 1 NMR

2-Acetylpyridine 4-[2-trifluoromethylphenyl]-3-thiosemicarbazone
SpectraBase Compound ID HfeC76hb2Sl
InChI InChI=1S/C15H13F3N4S/c1-10(12-7-4-5-9-19-12)21-22-14(23)20-13-8-3-2-6-11(13)15(16,17)18/h2-9H,1H3,(H2,20,22,23)/b21-10-
InChIKey UVUVLWMFQRSEIT-FBHDLOMBSA-N
Mol Weight 338.35 g/mol
Molecular Formula C15H13F3N4S
Exact Mass 338.081302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkKkkQL15NW
Name 2-Acetylpyridine 4-[2-trifluoromethylphenyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 338.081302098 u
Formula C15H13F3N4S
InChI InChI=1S/C15H13F3N4S/c1-10(12-7-4-5-9-19-12)21-22-14(23)20-13-8-3-2-6-11(13)15(16,17)18/h2-9H,1H3,(H2,20,22,23)/b21-10-
InChIKey UVUVLWMFQRSEIT-FBHDLOMBSA-N
Molecular Weight 338.352 g/mol
SMILES C\C(=N\NC(NC1=C(C=CC=C1)C(F)(F)F)=S)C1=NC=CC=C1