4-((1'S,2'R,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester

SpectraBase Compound ID	Gu5EoBrNXtL
InChI	InChI=1S/C22H25NO4/c1-16(24)27-15-21-12-19-10-11-23(21)14-20(19)9-8-18(13-22(25)26-2)17-6-4-3-5-7-17/h3-7,13,19-21H,10-12,14-15H2,1-2H3/b18-13-/t19-,20-,21+/m0/s1
InChIKey	UWBXAYUBGRDWSO-JTIXDIPFSA-N Google Search
Mol Weight	367.45 g/mol
Molecular Formula	C22H25NO4
Exact Mass	367.178358 g/mol

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SpectraBase Spectrum ID	7JWkG01OU07
Name	4-((1'S,2'R,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25NO4
InChI	InChI=1S/C22H25NO4/c1-16(24)27-15-21-12-19-10-11-23(21)14-20(19)9-8-18(13-22(25)26-2)17-6-4-3-5-7-17/h3-7,13,19-21H,10-12,14-15H2,1-2H3/b18-13-/t19-,20-,21+/m0/s1
InChIKey	UWBXAYUBGRDWSO-JTIXDIPFSA-N
Molecular Weight	367.445 g/mol
SMILES	C(#C[C@]1(CN2CC[C@]1(C[C@@]2(COC(=O)C)[H])[H])[H])\C(=C\C(=O)OC)c1ccccc1
SPLASH	splash10-0vi0-0009000000-50b70ff59cbeb7c5addc
Source of Spectrum	F-65-6231-8a
Synonyms	5-((1S,3S,4S,6R)-6-Acetoxymethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-3-phenyl-pent-2-en-4-ynoic acid methyl ester
Wiley ID	1680207