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[(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methyl benzoate
SpectraBase Compound ID I2cxuaC1tWe
InChI InChI=1S/C17H21NO2/c1-2-13-11-18-9-8-15(13)10-16(18)12-20-17(19)14-6-4-3-5-7-14/h2-7,15-16H,8-12H2,1H3/b13-2-/t15-,16-/m0/s1
InChIKey ASOQECMHDJELFN-WQEOQWFYSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdrFiDs3mLc
Name [(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-2-13-11-18-9-8-15(13)10-16(18)12-20-17(19)14-6-4-3-5-7-14/h2-7,15-16H,8-12H2,1H3/b13-2-/t15-,16-/m0/s1
InChIKey ASOQECMHDJELFN-WQEOQWFYSA-N
Molecular Weight 271.360 g/mol
SMILES C1N2CC[C@@](\C1=C\C)([H])C[C@]2(COC(=O)c1ccccc1)[H]
SPLASH splash10-0pb9-0920000000-9d7c62f047c1f59f8c4a
Source of Spectrum J-65-3990-6
Synonyms [(2S,4S,5E)-5-ethylidenequinuclidin-2-yl]methyl benzoate benzoic acid [(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methyl ester
Wiley ID 1532430