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(1S,6S,7S)-2-Benzyl-7-cyano-2-aza-bicyclo[4.2.0]octane-6-carboxylic acid ethyl ester
SpectraBase Compound ID ADB9IOYZZ20
InChI InChI=1S/C18H22N2O2/c1-2-22-17(21)18-9-6-10-20(16(18)11-15(18)12-19)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-11,13H2,1H3/t15-,16+,18+/m1/s1
InChIKey VJBIHOKQGDOYNE-RYRKJORJSA-N
Mol Weight 298.39 g/mol
Molecular Formula C18H22N2O2
Exact Mass 298.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGIHzTpK3DT
Name (1S,6S,7S)-2-Benzyl-7-cyano-2-aza-bicyclo[4.2.0]octane-6-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (1S,6S,7S)-2-benzyl-7-cyano-2-azabicyclo[4.2.0]octane-6-carboxylate Ethyl 2-Benzyl-cis-7-cyano-cis-2-azabicyclo[4.2.0]octane-6-carboxylate
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Formula C18H22N2O2
InChI InChI=1S/C18H22N2O2/c1-2-22-17(21)18-9-6-10-20(16(18)11-15(18)12-19)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-11,13H2,1H3/t15-,16+,18+/m1/s1
InChIKey VJBIHOKQGDOYNE-RYRKJORJSA-N
Molecular Weight 298.386 g/mol
SMILES [C@]12([C@](N(Cc3ccccc3)CCC1)([H])C[C@@]2(C#N)[H])C(=O)OCC
SPLASH splash10-00kg-8090000000-6efac3d844884fce43d2
Source of Spectrum KC-1992-2035-9
Wiley ID 776724