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3-(Phenylmethyl)-1-azabicyclo[2.2.2]octane-4-carbonitrile
SpectraBase Compound ID 6FWz1UWXBZH
InChI InChI=1S/C15H18N2/c16-12-15-6-8-17(9-7-15)11-14(15)10-13-4-2-1-3-5-13/h1-5,14H,6-11H2
InChIKey CBJFPYBPHBXBFL-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C15H18N2
Exact Mass 226.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhM5zcPLe15
Name 3-(Phenylmethyl)-1-azabicyclo[2.2.2]octane-4-carbonitrile
Alternate Name(s) 3-Benzyl-1-azabicyclo[2.2.2]octane-4-carbonitrile 3-Benzylquinuclidine-4-carbonitrile
CAS Registry Number 76447-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2
InChI InChI=1S/C15H18N2/c16-12-15-6-8-17(9-7-15)11-14(15)10-13-4-2-1-3-5-13/h1-5,14H,6-11H2
InChIKey CBJFPYBPHBXBFL-UHFFFAOYSA-N
Molecular Weight 226.323 g/mol
SMILES C12(C(CN(CC2)CC1)Cc1ccccc1)C#N
SPLASH splash10-000f-9700000000-aad517a88c14889be168
Source of Spectrum J-46-1214-0
Wiley ID 1228119