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N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(4'-methylphenyl)nortropane
SpectraBase Compound ID 110RzHWcdxC
InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16-,17-,18+/m1/s1
InChIKey YYCOWMQMXNLRHZ-MYQGPKRQSA-N
Mol Weight 425.31 g/mol
Molecular Formula C19H24INO2
Exact Mass 425.085174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JkJsLHiQh0
Name N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(4'-methylphenyl)nortropane
Alternate Name(s) (1R,3S,4S)-8-[(E)-3-iodoprop-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Methyl (1R,3S,4S)-8-[(E)-3-iodoprop-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl (1R,3S,4S)-8-[(E)-3-iodoallyl]-3-(p-tolyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl (1R,3S,4S)-8-[(E)-3-iodanylprop-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
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Formula C19H24INO2
InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16-,17-,18+/m1/s1
InChIKey YYCOWMQMXNLRHZ-MYQGPKRQSA-N
Molecular Weight 425.310 g/mol
SMILES [C@@]1([C@@]2(N(C\C=C\I)[C@@](C[C@@]1(c1ccc(cc1)C)[H])(CC2)[H])[H])(C(=O)OC)[H]
SPLASH splash10-006t-0590100000-61d949998a54f72ee385
Source of Spectrum E1-40-1371-3
Wiley ID 1599222