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3-Benzoyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID C3jP7iqnS8d
InChI InChI=1S/C13H13NO2/c15-13(10-4-2-1-3-5-10)14-11-6-8-12(16-14)9-7-11/h1-6,8,11-12H,7,9H2/t11-,12+/m1/s1
InChIKey UDSPWWLYUFTTAW-NEPJUHHUSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kw9hnRhnnT9
Name 3-Benzoyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
CAS Registry Number 70156-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c15-13(10-4-2-1-3-5-10)14-11-6-8-12(16-14)9-7-11/h1-6,8,11-12H,7,9H2/t11-,12+/m1/s1
InChIKey UDSPWWLYUFTTAW-NEPJUHHUSA-N
Molecular Weight 215.252 g/mol
SMILES C(N1O[C@]2(C=C[C@@]1(CC2)[H])[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-886495b001716f414c04
Source of Spectrum F-49-459-7
Synonyms 2-Oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-benzoyl- 3-Oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl(phenyl)methanone NSC 328357
Wiley ID 1214696