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6-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-4-phenyl-(E)-3-hexen-5-yn-2-one
SpectraBase Compound ID 6mhW2H3W5YS
InChI InChI=1S/C20H23NO2/c1-15(23)11-17(16-5-3-2-4-6-16)7-8-19-13-21-10-9-18(19)12-20(21)14-22/h2-6,11,18-20,22H,9-10,12-14H2,1H3/b17-11-/t18-,19-,20+/m0/s1
InChIKey YGFUJOJIGWUQCN-YEUAKUBYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C20H23NO2
Exact Mass 309.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62OSg3Gm5f7
Name 6-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-4-phenyl-(E)-3-hexen-5-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO2
InChI InChI=1S/C20H23NO2/c1-15(23)11-17(16-5-3-2-4-6-16)7-8-19-13-21-10-9-18(19)12-20(21)14-22/h2-6,11,18-20,22H,9-10,12-14H2,1H3/b17-11-/t18-,19-,20+/m0/s1
InChIKey YGFUJOJIGWUQCN-YEUAKUBYSA-N
Molecular Weight 309.409 g/mol
SMILES OC[C@]1(C[C@]2([C@@](C#C\C(=C\C(=O)C)c3ccccc3)(CN1CC2)[H])[H])[H]
SPLASH splash10-056r-0096000000-772126b7acc629b9b761
Source of Spectrum F-65-6231-7d
Wiley ID 1712474