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4-Cyano-6-(n-octylamino)-2,7-diphenyl-pyrimido[5,4-c]pyridazine-3,8-dione
SpectraBase Compound ID 3RjTUO0wchi
InChI InChI=1S/C27H28N6O2/c1-2-3-4-5-6-13-18-29-27-30-23-22(19-28)25(34)33(21-16-11-8-12-17-21)31-24(23)26(35)32(27)20-14-9-7-10-15-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,29,30)
InChIKey HIHZHODXVGDMAP-UHFFFAOYSA-N
Mol Weight 468.56 g/mol
Molecular Formula C27H28N6O2
Exact Mass 468.227374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5aGigiRo0c
Name 4-Cyano-6-(n-octylamino)-2,7-diphenyl-pyrimido[5,4-c]pyridazine-3,8-dione
Comments Less than 3 mono-isotopic peaks
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Formula C27H28N6O2
InChI InChI=1S/C27H28N6O2/c1-2-3-4-5-6-13-18-29-27-30-23-22(19-28)25(34)33(21-16-11-8-12-17-21)31-24(23)26(35)32(27)20-14-9-7-10-15-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,29,30)
InChIKey HIHZHODXVGDMAP-UHFFFAOYSA-N
Molecular Weight 468.561 g/mol
SMILES N(C=1N(C(C=2C(=C(C#N)C(N(N2)c2ccccc2)=O)N1)=O)c1ccccc1)CCCCCCCC
SPLASH splash10-014i-0000900000-6482402a1099e1200474
Source of Spectrum Y-49-391-5d
Wiley ID 1706540