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5-((1'S,2'S,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-methyl-(E)-2-penten-4-ynoic acid ethyl ester
SpectraBase Compound ID 1brr3fDumrv
InChI InChI=1S/C18H25NO4/c1-4-22-18(21)9-13(2)5-6-16-11-19-8-7-15(16)10-17(19)12-23-14(3)20/h9,15-17H,4,7-8,10-12H2,1-3H3/b13-9+/t15-,16-,17-/m0/s1
InChIKey WVFJWSJFZBXYRJ-NJAOAXOHSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsMXuqcHvLy
Name 5-((1'S,2'S,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-methyl-(E)-2-penten-4-ynoic acid ethyl ester
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Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-4-22-18(21)9-13(2)5-6-16-11-19-8-7-15(16)10-17(19)12-23-14(3)20/h9,15-17H,4,7-8,10-12H2,1-3H3/b13-9+/t15-,16-,17-/m0/s1
InChIKey WVFJWSJFZBXYRJ-NJAOAXOHSA-N
Molecular Weight 319.401 g/mol
SMILES [C@]1(N2CC[C@](C1)([H])[C@@](C#C\C(=C\C(=O)OCC)C)(C2)[H])(COC(=O)C)[H]
SPLASH splash10-00kb-0093000000-979a4011c64f69ec7146
Source of Spectrum F-65-6233-10a
Wiley ID 1712472