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 ethyl ester

SpectraBase Compound ID	GUGxDw7qLsi
InChI	InChI=1S/C21H25NO3/c1-2-25-21(24)13-17(16-6-4-3-5-7-16)8-9-19-14-22-11-10-18(19)12-20(22)15-23/h3-7,13,18-20,23H,2,10-12,14-15H2,1H3/b17-13-/t18-,19-,20+/m0/s1
InChIKey	URDBIFYAYRSDLN-GXMHYGKPSA-N Google Search
Mol Weight	339.44 g/mol
Molecular Formula	C21H25NO3
Exact Mass	339.183444 g/mol

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SpectraBase Spectrum ID	9VuFbRTJhRS
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 ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H25NO3
InChI	InChI=1S/C21H25NO3/c1-2-25-21(24)13-17(16-6-4-3-5-7-16)8-9-19-14-22-11-10-18(19)12-20(22)15-23/h3-7,13,18-20,23H,2,10-12,14-15H2,1H3/b17-13-/t18-,19-,20+/m0/s1
InChIKey	URDBIFYAYRSDLN-GXMHYGKPSA-N
Molecular Weight	339.435 g/mol
SMILES	OC[C@]1(C[C@]2([C@@](C#C\C(=C\C(=O)OCC)c3ccccc3)(CN1CC2)[H])[H])[H]
SPLASH	splash10-08g0-0009000000-b83e405a5a1db5607b8f
Source of Spectrum	F-65-6231-7b
Wiley ID	1680210