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3-Phenethylamino-5,6-diphenyl-1,2,4-triazine
SpectraBase Compound ID ADoDzCt0vuT
InChI InChI=1S/C23H20N4/c1-4-10-18(11-5-1)16-17-24-23-25-21(19-12-6-2-7-13-19)22(26-27-23)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25,27)
InChIKey JAZKOKMQRFMKNV-UHFFFAOYSA-N
Mol Weight 352.44 g/mol
Molecular Formula C23H20N4
Exact Mass 352.168797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrsgYCoF6cV
Name 3-Phenethylamino-5,6-diphenyl-1,2,4-triazine
Comments Computed using HOSE algorithm
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Exact Mass 352.168796660 u
Formula C23H20N4
InChI InChI=1S/C23H20N4/c1-4-10-18(11-5-1)16-17-24-23-25-21(19-12-6-2-7-13-19)22(26-27-23)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25,27)
InChIKey JAZKOKMQRFMKNV-UHFFFAOYSA-N
Molecular Weight 352.441 g/mol
SMILES C1(=NN=C(C(=N1)C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=CC=CC=C1