6-[2'-Iodo-4'-(N,N-dimethylamino)benzyl]-3-(N,N-dimethylamino)phenyl Phenylethynyl Ketone

SpectraBase Compound ID	FLslB5vy0pL
InChI	InChI=1S/C26H25IN2O/c1-28(2)22-13-11-20(16-21-12-14-23(29(3)4)18-25(21)27)24(17-22)26(30)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18H,16H2,1-4H3
InChIKey	UCJSIUHPVDEXET-UHFFFAOYSA-N Google Search
Mol Weight	508.4 g/mol
Molecular Formula	C26H25IN2O
Exact Mass	508.101158 g/mol

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SpectraBase Spectrum ID	HAI612CGa1t
Name	6-[2'-Iodo-4'-(N,N-dimethylamino)benzyl]-3-(N,N-dimethylamino)phenyl Phenylethynyl Ketone
Alternate Name(s)	1-{5-(dimethylamino)-2-[4-(dimethylamino)-2-iodobenzyl]phenyl}-3-phenyl-2-propyn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-3-phenyl-2-propyn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-3-phenylprop-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]-3-phenyl-prop-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]-3-phenyl-prop-2-yn-1-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H25IN2O
InChI	InChI=1S/C26H25IN2O/c1-28(2)22-13-11-20(16-21-12-14-23(29(3)4)18-25(21)27)24(17-22)26(30)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18H,16H2,1-4H3
InChIKey	UCJSIUHPVDEXET-UHFFFAOYSA-N
Molecular Weight	508.403 g/mol
SMILES	C(#Cc1ccccc1)C(c1c(Cc2c(cc(cc2)N(C)C)I)ccc(c1)N(C)C)=O
SPLASH	splash10-0059-0409010000-a3fbef84abc77a42b7d5
Source of Spectrum	SK-31-346-3
Wiley ID	881678