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5-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester
SpectraBase Compound ID FAZjlGflCj7
InChI InChI=1S/C20H23NO3/c1-24-20(23)12-16(15-5-3-2-4-6-15)7-8-18-13-21-10-9-17(18)11-19(21)14-22/h2-6,12,17-19,22H,9-11,13-14H2,1H3/b16-12-/t17-,18-,19+/m0/s1
InChIKey FFHRQYUZILHLRS-JGNSMOMBSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfXuVHYvQm
Name 5-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester
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Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-24-20(23)12-16(15-5-3-2-4-6-15)7-8-18-13-21-10-9-17(18)11-19(21)14-22/h2-6,12,17-19,22H,9-11,13-14H2,1H3/b16-12-/t17-,18-,19+/m0/s1
InChIKey FFHRQYUZILHLRS-JGNSMOMBSA-N
Molecular Weight 325.408 g/mol
SMILES OC[C@]1(C[C@]2([C@@](C#C\C(=C\C(=O)OC)c3ccccc3)(CN1CC2)[H])[H])[H]
SPLASH splash10-004l-0049000000-e467e13da5c324cf7be6
Source of Spectrum F-65-6231-7c
Wiley ID 1680209