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5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(3-oxopentenyl)benzyl]benzene 2-iodinium
SpectraBase Compound ID PzWj4Az3uX
InChI InChI=1S/C22H27IN2O/c1-6-21(26)12-9-17-14-19(24(2)3)10-7-16(17)13-18-8-11-20(25(4)5)15-22(18)23/h7-12,14-15H,6,13H2,1-5H3/b12-9+
InChIKey WHZLYFKGGZPYBQ-FMIVXFBMSA-N
Mol Weight 462.38 g/mol
Molecular Formula C22H27IN2O
Exact Mass 462.116808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 143hj8P3RV0
Name 5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(3-oxopentenyl)benzyl]benzene 2-iodinium
Alternate Name(s) 5-(N,N-Dimethyl)-2-[4-(N,N-dimethyl)-2-(3-oxopentenyl)benzyl]benzene 2-iodinium (E)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-1-penten-3-one (E)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]pent-1-en-3-one (E)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]pent-1-en-3-one (E)-1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]pent-1-en-3-one
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Formula C22H27IN2O
InChI InChI=1S/C22H27IN2O/c1-6-21(26)12-9-17-14-19(24(2)3)10-7-16(17)13-18-8-11-20(25(4)5)15-22(18)23/h7-12,14-15H,6,13H2,1-5H3/b12-9+
InChIKey WHZLYFKGGZPYBQ-FMIVXFBMSA-N
Molecular Weight 462.375 g/mol
SMILES c1c(N(C)C)ccc(c1I)Cc1c(\C=C\C(=O)CC)cc(cc1)N(C)C
SPLASH splash10-03di-0011900000-70b04eaefd50d511ace7
Source of Spectrum F-56-2964-5
Wiley ID 856792