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7,7-Dimethyl-4-(4-bromophenyl)-3-phenyl-1,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-5-one
SpectraBase Compound ID 1lNfkKcPvWU
InChI InChI=1S/C24H22BrN3O/c1-24(2)12-17-20(18(29)13-24)19(14-8-10-16(25)11-9-14)21-22(27-28-23(21)26-17)15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3,(H2,26,27,28)
InChIKey LMXNIIPRPXQZDN-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C24H22BrN3O
Exact Mass 447.094625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9q6W8vZVH6y
Name 7,7-Dimethyl-4-(4-bromophenyl)-3-phenyl-1,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C24H22BrN3O
InChI InChI=1S/C24H22BrN3O/c1-24(2)12-17-20(18(29)13-24)19(14-8-10-16(25)11-9-14)21-22(27-28-23(21)26-17)15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3,(H2,26,27,28)
InChIKey LMXNIIPRPXQZDN-UHFFFAOYSA-N
Molecular Weight 448.364 g/mol
SMILES N1C2=C(C(c3c1[nH]nc3-c1ccccc1)c1ccc(cc1)Br)C(CC(C2)(C)C)=O
SPLASH splash10-0006-0090400000-165db3c53704c3297175
Source of Spectrum J-73-5116-4d
Wiley ID 1668322