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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
Mol Weight 508.4 g/mol
Molecular Formula C26H25IN2O
Exact Mass 508.101158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAI612CGa1t
Name 6-[2'-Iodo-4'-(N,N-dimethylamino)benzyl]-3-(N,N-dimethylamino)phenyl Phenylethynyl Ketone
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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
Synonyms 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
Wiley ID 881678