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8-endo-4-Cyano-8-ethoxy-2-phenyl-2,5-diazabicyclo[2.2.2]octane-3-one isomer
SpectraBase Compound ID 602z9zTrBNi
InChI InChI=1S/C15H15N3O3/c1-2-21-12-8-11-13(19)17-15(12,9-16)14(20)18(11)10-6-4-3-5-7-10/h3-7,11-12H,2,8H2,1H3,(H,17,19)/t11-,12+,15-/m0/s1
InChIKey NFLSWWDSEYSRRH-ZOWXZIJZSA-N
Mol Weight 285.3 g/mol
Molecular Formula C15H15N3O3
Exact Mass 285.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqvG06gNdfq
Name 8-endo-4-Cyano-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 C15H15N3O3
InChI InChI=1S/C15H15N3O3/c1-2-21-12-8-11-13(19)17-15(12,9-16)14(20)18(11)10-6-4-3-5-7-10/h3-7,11-12H,2,8H2,1H3,(H,17,19)/t11-,12+,15-/m0/s1
InChIKey NFLSWWDSEYSRRH-ZOWXZIJZSA-N
Molecular Weight 285.303 g/mol
SMILES N1C([C@]2(N(C([C@@]1([C@@](C2)(OCC)[H])C#N)=O)c1ccccc1)[H])=O
SPLASH splash10-03di-0590000000-9a0818e4f10aedfd933c
Source of Spectrum KC-57-3218-18
Wiley ID 1623740