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Ethyl 2-Benzyl-cis-8-cyano-cis-2-azabicyclo[4.2.0]octane-6-carboxylate
SpectraBase Compound ID GwIGkMszyDV
InChI InChI=1S/C18H22N2O2/c1-2-22-17(21)18-9-6-10-20(16(18)15(11-18)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-/m0/s1
InChIKey GKSOEGLOTCPYJS-BQFCYCMXSA-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 5kSvOX4PkEU
Name Ethyl 2-Benzyl-cis-8-cyano-cis-2-azabicyclo[4.2.0]octane-6-carboxylate
Alternate Name(s) Ethyl (1R,6R,8S)-2-benzyl-8-cyano-2-azabicyclo[4.2.0]octane-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O2
InChI InChI=1S/C18H22N2O2/c1-2-22-17(21)18-9-6-10-20(16(18)15(11-18)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-/m0/s1
InChIKey GKSOEGLOTCPYJS-BQFCYCMXSA-N
Molecular Weight 298.386 g/mol
SMILES [C@]12([C@](N(Cc3ccccc3)CCC1)([H])[C@@](C2)(C#N)[H])C(=O)OCC
SPLASH splash10-0006-9160000000-6d451afed78660afc19e
Source of Spectrum KC-1992-2035-7
Wiley ID 776725