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5-Methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
SpectraBase Compound ID 9hp5KozmSJS
InChI InChI=1S/C35H24N4/c1-23-22-28-34(38-31(25-16-8-3-9-17-25)30(36-28)24-14-6-2-7-15-24)35-29(23)37-32(26-18-10-4-11-19-26)33(39-35)27-20-12-5-13-21-27/h2-22H,1H3
InChIKey GYTIXFRTFIZPLL-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C35H24N4
Exact Mass 500.200097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qDRkuTUEQy
Name 5-Methyl-2,3,8,9-tetraphenylpyrazino[2,3-F]quinoxaline
Comments Computed using HOSE algorithm
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Exact Mass 500.200096789 u
Formula C35H24N4
InChI InChI=1S/C35H24N4/c1-23-22-28-34(38-31(25-16-8-3-9-17-25)30(36-28)24-14-6-2-7-15-24)35-29(23)37-32(26-18-10-4-11-19-26)33(39-35)27-20-12-5-13-21-27/h2-22H,1H3
InChIKey GYTIXFRTFIZPLL-UHFFFAOYSA-N
Molecular Weight 500.605 g/mol
SMILES C12=C3N=C(C4=CC=CC=C4)C(=NC3=CC(=C1N=C(C=1C=CC=CC1)C(=N2)C=1C=CC=CC1)C)C1=CC=CC=C1