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2-Amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
SpectraBase Compound ID K8DyHJwg9PH
InChI InChI=1S/C25H24BrN3O/c1-15-4-6-16(7-5-15)22-19(14-27)24(28)29(18-10-8-17(26)9-11-18)20-12-25(2,3)13-21(30)23(20)22/h4-11,22H,12-13,28H2,1-3H3
InChIKey KWOKEPYTHFFYEF-UHFFFAOYSA-N
Mol Weight 462.39 g/mol
Molecular Formula C25H24BrN3O
Exact Mass 461.110275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Oc7ZJuGX0E
Name 2-Amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C25H24BrN3O
InChI InChI=1S/C25H24BrN3O/c1-15-4-6-16(7-5-15)22-19(14-27)24(28)29(18-10-8-17(26)9-11-18)20-12-25(2,3)13-21(30)23(20)22/h4-11,22H,12-13,28H2,1-3H3
InChIKey KWOKEPYTHFFYEF-UHFFFAOYSA-N
Molecular Weight 462.391 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)N1c1ccc(cc1)Br)c1ccc(cc1)C)C#N
SPLASH splash10-00di-0009400000-06a71ca6c0cad934ab63
Source of Spectrum Y-48-1276-6
Synonyms 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-(p-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile 2-azanyl-1-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
Wiley ID 1704416