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4-[9-Acridyl]thiosemicarbazone 2-acetylpyridine

View entire compound with spectra: 1 NMR

4-[9-Acridyl]thiosemicarbazone 2-acetylpyridine
SpectraBase Compound ID Hnyi8AY0cJy
InChI InChI=1S/C21H17N5S/c1-14(17-10-6-7-13-22-17)25-26-21(27)24-20-15-8-2-4-11-18(15)23-19-12-5-3-9-16(19)20/h2-13H,1H3,(H2,23,24,26,27)/b25-14+
InChIKey SEJJODMGWKJVAW-AFUMVMLFSA-N
Mol Weight 371.46 g/mol
Molecular Formula C21H17N5S
Exact Mass 371.120467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHCUhgCQEYg
Name 4-[9-Acridyl]thiosemicarbazone 2-acetylpyridine
Comments Computed using HOSE algorithm
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Exact Mass 371.120466741 u
Formula C21H17N5S
InChI InChI=1S/C21H17N5S/c1-14(17-10-6-7-13-22-17)25-26-21(27)24-20-15-8-2-4-11-18(15)23-19-12-5-3-9-16(19)20/h2-13H,1H3,(H2,23,24,26,27)/b25-14+
InChIKey SEJJODMGWKJVAW-AFUMVMLFSA-N
Molecular Weight 371.462 g/mol
SMILES C1(=CC=CC=N1)\C(=N\NC(NC=1C=2C(=CC=CC2)N=C2C=CC=CC12)=S)C