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3-(1-phenylethyl)-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid methyl ester
SpectraBase Compound ID E9HUibqs3yc
InChI InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)18-15-10-8-14(9-11-15)16(18)17(19)20-2/h3-8,10,12,14-16H,9,11H2,1-2H3/t12?,14-,15+,16+/m1/s1
InChIKey JECDGYOPOZFQAA-ONWBSWNQSA-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 8Kq0CnArGhz
Name 3-(1-phenylethyl)-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)18-15-10-8-14(9-11-15)16(18)17(19)20-2/h3-8,10,12,14-16H,9,11H2,1-2H3/t12?,14-,15+,16+/m1/s1
InChIKey JECDGYOPOZFQAA-ONWBSWNQSA-N
Molecular Weight 271.360 g/mol
SMILES [C@]1(N([C@]2(C=C[C@@]1(CC2)[H])[H])C(c1ccccc1)C)(C(=O)OC)[H]
SPLASH splash10-06si-9840000000-9e5c81df497614c8e9f4
Source of Spectrum F-48-9717-11
Synonyms Methyl 3-(1-phenylethyl)-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1275459