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8-endo-4-Chloro-7(8)-ethoxy-2-phenyl-2,5-diazabicyclo[2.2.2]octane-3-one isomer
SpectraBase Compound ID EC29eLJXbF6
InChI InChI=1S/C14H17ClN2O2/c1-2-19-12-8-11-9-16-14(12,15)13(18)17(11)10-6-4-3-5-7-10/h3-7,11-12,16H,2,8-9H2,1H3/t11-,12?,14-/m0/s1
InChIKey MKKUIPQJPGUDJE-PSIKVXPXSA-N
Mol Weight 280.75 g/mol
Molecular Formula C14H17ClN2O2
Exact Mass 280.097855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4JAAdbOjCL
Name 8-endo-4-Chloro-7(8)-ethoxy-2-phenyl-2,5-diazabicyclo[2.2.2]octane-3-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClN2O2
InChI InChI=1S/C14H17ClN2O2/c1-2-19-12-8-11-9-16-14(12,15)13(18)17(11)10-6-4-3-5-7-10/h3-7,11-12,16H,2,8-9H2,1H3/t11-,12?,14-/m0/s1
InChIKey MKKUIPQJPGUDJE-PSIKVXPXSA-N
Molecular Weight 280.755 g/mol
SMILES N1C[C@]2(N(C([C@@]1(C(C2)OCC)Cl)=O)c1ccccc1)[H]
SPLASH splash10-066r-2940000000-a788b75023ba017bc74e
Source of Spectrum KC-57-3216-12
Synonyms 4-Chloranyl-8-ethoxy-2-phenyl-2,5-diazabicyclo[2.2.2]octan-3-one
Wiley ID 1623753