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5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(2-methyloxycarbonylethenyl)benzyl]benzene 2-iodinium
SpectraBase Compound ID IOAibysQSJN
InChI InChI=1S/C21H25IN2O2/c1-23(2)18-9-6-15(16(13-18)8-11-21(25)26-5)12-17-7-10-19(24(3)4)14-20(17)22/h6-11,13-14H,12H2,1-5H3/b11-8+
InChIKey KTNNEIPSTVEJLE-DHZHZOJOSA-N
Mol Weight 464.35 g/mol
Molecular Formula C21H25IN2O2
Exact Mass 464.096073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1IS7dT4Ojg
Name 5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(2-methyloxycarbonylethenyl)benzyl]benzene 2-iodinium
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Formula C21H25IN2O2
InChI InChI=1S/C21H25IN2O2/c1-23(2)18-9-6-15(16(13-18)8-11-21(25)26-5)12-17-7-10-19(24(3)4)14-20(17)22/h6-11,13-14H,12H2,1-5H3/b11-8+
InChIKey KTNNEIPSTVEJLE-DHZHZOJOSA-N
Molecular Weight 464.347 g/mol
SMILES c1c(N(C)C)ccc(c1I)Cc1c(\C=C\C(=O)OC)cc(cc1)N(C)C
SPLASH splash10-03fr-0090200000-d24a96c0568ad695e026
Source of Spectrum F-56-2964-5
Synonyms 5-(N,N-Dimethyl)-2-[4-(N,N-dimethyl)-2-(2-methyloxycarbonylethenyl)benzyl]benzene 2-iodinium (E)-3-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-2-propenoic acid methyl ester Methyl (E)-3-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]prop-2-enoate Methyl (E)-3-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]prop-2-enoate Methyl (E)-3-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]prop-2-enoate
Wiley ID 856791