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6-[2'-Iodo-4'-(N,N-dimethylamino)benzyl]-3-(N,N-dimethylamino)phenyl [(p-Bromophenyl)ethynyl] Ketone
SpectraBase Compound ID 9GRtGixe6w5
InChI InChI=1S/C26H24BrIN2O/c1-29(2)22-12-8-19(15-20-9-13-23(30(3)4)17-25(20)28)24(16-22)26(31)14-7-18-5-10-21(27)11-6-18/h5-6,8-13,16-17H,15H2,1-4H3
InChIKey BFQWSFCXJNODIU-UHFFFAOYSA-N
Mol Weight 587.3 g/mol
Molecular Formula C26H24BrIN2O
Exact Mass 586.011671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eup29RiIt2t
Name 6-[2'-Iodo-4'-(N,N-dimethylamino)benzyl]-3-(N,N-dimethylamino)phenyl [(p-Bromophenyl)ethynyl] Ketone
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Formula C26H24BrIN2O
InChI InChI=1S/C26H24BrIN2O/c1-29(2)22-12-8-19(15-20-9-13-23(30(3)4)17-25(20)28)24(16-22)26(31)14-7-18-5-10-21(27)11-6-18/h5-6,8-13,16-17H,15H2,1-4H3
InChIKey BFQWSFCXJNODIU-UHFFFAOYSA-N
Molecular Weight 587.299 g/mol
SMILES C(#Cc1ccc(cc1)Br)C(c1c(Cc2c(cc(cc2)N(C)C)I)ccc(c1)N(C)C)=O
SPLASH splash10-0cdi-0000910000-97a1ac2836ae0c1e43d6
Source of Spectrum SK-31-346-3
Synonyms 3-(4-bromophenyl)-1-{5-(dimethylamino)-2-[4-(dimethylamino)-2-iodobenzyl]phenyl}-2-propyn-1-one 3-(4-bromophenyl)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-2-propyn-1-one 3-(4-bromophenyl)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]prop-2-yn-1-one 3-(4-bromophenyl)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]prop-2-yn-1-one 3-(4-bromophenyl)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]prop-2-yn-1-one
Wiley ID 881677