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1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]oct-2-yn-1-one
SpectraBase Compound ID Gt1cqsoTMQS
InChI InChI=1S/C25H31IN2O/c1-6-7-8-9-10-11-25(29)23-17-21(27(2)3)14-12-19(23)16-20-13-15-22(28(4)5)18-24(20)26/h12-15,17-18H,6-9,16H2,1-5H3
InChIKey IFEDQBPVYKAKSI-UHFFFAOYSA-N
Mol Weight 502.44 g/mol
Molecular Formula C25H31IN2O
Exact Mass 502.148109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLo9598NJmO
Name 1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]oct-2-yn-1-one
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Formula C25H31IN2O
InChI InChI=1S/C25H31IN2O/c1-6-7-8-9-10-11-25(29)23-17-21(27(2)3)14-12-19(23)16-20-13-15-22(28(4)5)18-24(20)26/h12-15,17-18H,6-9,16H2,1-5H3
InChIKey IFEDQBPVYKAKSI-UHFFFAOYSA-N
Molecular Weight 502.440 g/mol
SMILES c1(c(Cc2c(cc(cc2)N(C)C)I)ccc(c1)N(C)C)C(C#CCCCCC)=O
SPLASH splash10-016r-0000920000-bd4babd04108ce2e8dcc
Source of Spectrum SK-31-346-3
Synonyms 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]oct-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]oct-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-2-octyn-1-one
Wiley ID 881675