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1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-one
SpectraBase Compound ID FLX3P1GiACE
InChI InChI=1S/C27H27IN2O2/c1-29(2)22-11-9-20(16-21-10-12-23(30(3)4)18-26(21)28)25(17-22)27(31)15-8-19-6-13-24(32-5)14-7-19/h6-7,9-14,17-18H,16H2,1-5H3
InChIKey MIUPLBWKVJPAIK-UHFFFAOYSA-N
Mol Weight 538.43 g/mol
Molecular Formula C27H27IN2O2
Exact Mass 538.111723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xKhCeWaOo
Name 1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-one
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Formula C27H27IN2O2
InChI InChI=1S/C27H27IN2O2/c1-29(2)22-11-9-20(16-21-10-12-23(30(3)4)18-26(21)28)25(17-22)27(31)15-8-19-6-13-24(32-5)14-7-19/h6-7,9-14,17-18H,16H2,1-5H3
InChIKey MIUPLBWKVJPAIK-UHFFFAOYSA-N
Molecular Weight 538.429 g/mol
SMILES C(#Cc1ccc(cc1)OC)C(c1c(Cc2c(cc(cc2)N(C)C)I)ccc(c1)N(C)C)=O
SPLASH splash10-03y0-0037980000-8573013edbac0ee90997
Source of Spectrum SK-31-346-3
Synonyms 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-3-(4-methoxyphenyl)-2-propyn-1-one
Wiley ID 881676