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3-Chloranyl-N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
SpectraBase Compound ID ITf6sMtOCqc
InChI InChI=1S/C17H21ClN2O/c1-2-12-11-20-7-6-13(12)9-16(20)10-19-17(21)14-4-3-5-15(18)8-14/h2-5,8,12-13,16H,1,6-7,9-11H2,(H,19,21)/t12-,13-,16+/m0/s1
InChIKey GWQJUHRLRQQEGC-HEHGZKQESA-N
Mol Weight 304.82 g/mol
Molecular Formula C17H21ClN2O
Exact Mass 304.134241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zCLpqIapvn
Name 3-Chloranyl-N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
Alternate Name(s) 3-Chloro-N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide 3-Chloro-N-[[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClN2O
InChI InChI=1S/C17H21ClN2O/c1-2-12-11-20-7-6-13(12)9-16(20)10-19-17(21)14-4-3-5-15(18)8-14/h2-5,8,12-13,16H,1,6-7,9-11H2,(H,19,21)/t12-,13-,16+/m0/s1
InChIKey GWQJUHRLRQQEGC-HEHGZKQESA-N
Molecular Weight 304.821 g/mol
SMILES N(C(c1cc(Cl)ccc1)=O)C[C@@]1(N2C[C@](C=C)([C@](CC2)([H])C1)[H])[H]
SPLASH splash10-000i-0910000000-c2d9cda52154203fbee0
Source of Spectrum F-56-4462-2
Wiley ID 857451