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 Google Search
Mol Weight	587.3 g/mol
Molecular Formula	C26H24BrIN2O
Exact Mass	586.011671 g/mol

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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
Alternate Name(s)	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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Wiley ID	881677