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3-Aza-2-azoniabicyclo[2.2.1]hept-2-ene, 2-[(ethoxycarbonyl)amino]-, hydroxide, inner salt
SpectraBase Compound ID JDQhNkjGxNV
InChI InChI=1S/C8H13N3O2/c1-2-13-8(12)10-11-7-4-3-6(5-7)9-11/h6-7H,2-5H2,1H3
InChIKey FVMUIGGFHFCNLL-UHFFFAOYSA-N
Mol Weight 183.21 g/mol
Molecular Formula C8H13N3O2
Exact Mass 183.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38w25AyLkTt
Name 3-Aza-2-azoniabicyclo[2.2.1]hept-2-ene, 2-[(ethoxycarbonyl)amino]-, hydroxide, inner salt
CAS Registry Number 82317-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3O2
InChI InChI=1S/C8H13N3O2/c1-2-13-8(12)10-11-7-4-3-6(5-7)9-11/h6-7H,2-5H2,1H3
InChIKey FVMUIGGFHFCNLL-UHFFFAOYSA-N
Molecular Weight 183.211 g/mol
SMILES C([N-][N+]1=NC2CC1CC2)(=O)OCC
SPLASH splash10-001r-9100000000-2866d4bc493e57c655d1
Source of Spectrum H-65-225-0
Synonyms 1-Ethoxycarbonyl-2,3-(cis-1,3-cyclopentylene)-azimine 2,3-Diazabicyclo[2.2.1]heptane, 3-aza-2-azoniabicyclo[2.2.1]hept-2-ene deriv.
Wiley ID 1179568