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Benzaldehyde, 3-bromo-, [4-(phenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]hydrazone
SpectraBase Compound ID 6nTMGNNcsKu
InChI InChI=1S/C21H22BrN7/c22-17-9-7-8-16(14-17)15-23-28-20-25-19(24-18-10-3-1-4-11-18)26-21(27-20)29-12-5-2-6-13-29/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,24,25,26,27,28)/b23-15+
InChIKey UFIQAHAJPYONLN-HZHRSRAPSA-N
Mol Weight 452.36 g/mol
Molecular Formula C21H22BrN7
Exact Mass 451.112007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60yJR0chfar
Name Benzaldehyde, 3-bromo-, [4-(phenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 451.112006736 u
Formula C21H22BrN7
InChI InChI=1S/C21H22BrN7/c22-17-9-7-8-16(14-17)15-23-28-20-25-19(24-18-10-3-1-4-11-18)26-21(27-20)29-12-5-2-6-13-29/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,24,25,26,27,28)/b23-15+
InChIKey UFIQAHAJPYONLN-HZHRSRAPSA-N
Molecular Weight 452.360 g/mol
SMILES N(C=1N=C(N=C(N1)N1CCCCC1)N\N=C\C1=CC(=CC=C1)Br)C1=CC=CC=C1