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3-[2,4-Dichlorobenzylamino]-5,6-diphenyl-1,2,4-triazine
SpectraBase Compound ID GrkSLM5z5v6
InChI InChI=1S/C22H16Cl2N4/c23-18-12-11-17(19(24)13-18)14-25-22-26-20(15-7-3-1-4-8-15)21(27-28-22)16-9-5-2-6-10-16/h1-13H,14H2,(H,25,26,28)
InChIKey BWFJERKWLNCMOE-UHFFFAOYSA-N
Mol Weight 407.3 g/mol
Molecular Formula C22H16Cl2N4
Exact Mass 406.075202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jTgJfnuZsz
Name 3-[2,4-Dichlorobenzylamino]-5,6-diphenyl-1,2,4-triazine
Comments Computed using HOSE algorithm
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Exact Mass 406.075201931 u
Formula C22H16Cl2N4
InChI InChI=1S/C22H16Cl2N4/c23-18-12-11-17(19(24)13-18)14-25-22-26-20(15-7-3-1-4-8-15)21(27-28-22)16-9-5-2-6-10-16/h1-13H,14H2,(H,25,26,28)
InChIKey BWFJERKWLNCMOE-UHFFFAOYSA-N
Molecular Weight 407.304 g/mol
SMILES C1(=NN=C(C(=N1)C1=CC=CC=C1)C1=CC=CC=C1)NCC1=CC=C(Cl)C=C1Cl