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9-Oxo-2-azabicyclo[3.2.2]nona-3,6-dien-2-carboxylic acid ethyl ester
SpectraBase Compound ID ElSHarCqXX8
InChI InChI=1S/C11H13NO3/c1-2-15-11(14)12-6-5-8-3-4-9(12)7-10(8)13/h3-6,8-9H,2,7H2,1H3/t8-,9-/m0/s1
InChIKey BGWQNFGINHHHRK-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bmi6U9Izfb
Name 9-Oxo-2-azabicyclo[3.2.2]nona-3,6-dien-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-2-15-11(14)12-6-5-8-3-4-9(12)7-10(8)13/h3-6,8-9H,2,7H2,1H3/t8-,9-/m0/s1
InChIKey BGWQNFGINHHHRK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19781111218
Molecular Weight 207.229 g/mol
SMILES [C@]12(C=C[C@](N(C=C2)C(=O)OCC)(CC1=O)[H])[H]
SPLASH splash10-00kr-5910000000-2c699b3bb22e0599d718
Source of Spectrum K-111-3936-12c
Synonyms Ethyl (1R,5S)-9-oxo-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate
Wiley ID 1794240