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N-(ethoxycarbonyl)-3-exo-benzyl-2-azabicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID ICzLaL3mxGa
InChI InChI=1S/C17H21NO2/c1-2-20-17(19)18-15-10-8-14(9-11-15)16(18)12-13-6-4-3-5-7-13/h3-8,10,14-16H,2,9,11-12H2,1H3
InChIKey CVNFFISJAFHAKK-UHFFFAOYSA-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 CbdStf84Vuh
Name N-(ethoxycarbonyl)-3-exo-benzyl-2-azabicyclo[2.2.2]oct-5-ene
CAS Registry Number 96151-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-2-20-17(19)18-15-10-8-14(9-11-15)16(18)12-13-6-4-3-5-7-13/h3-8,10,14-16H,2,9,11-12H2,1H3
InChIKey CVNFFISJAFHAKK-UHFFFAOYSA-N
Molecular Weight 271.360 g/mol
SMILES C1(N(C2C=CC1CC2)C(=O)OCC)Cc1ccccc1
SPLASH splash10-0f89-9800000000-2e0b81dfb004a2778c7e
Source of Spectrum J-50-1893-3
Synonyms Ethyl 3-benzyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1275436