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(2E,6E)-5-azabicyclo[6.4.1]trideca-1(12),2,6,8,10-pentaen-4-one
SpectraBase Compound ID A1e1Edrx1LA
InChI InChI=1S/C12H11NO/c14-12-6-5-10-3-1-2-4-11(9-10)7-8-13-12/h1-8H,9H2,(H,13,14)
InChIKey BHWZNSAFNJAGMF-UHFFFAOYSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7U1AsbKBZ1B
Name (2E,6E)-5-azabicyclo[6.4.1]trideca-1(12),2,6,8,10-pentaen-4-one
CAS Registry Number 54004-05-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c14-12-6-5-10-3-1-2-4-11(9-10)7-8-13-12/h1-8H,9H2,(H,13,14)
InChIKey BHWZNSAFNJAGMF-UHFFFAOYSA-N
Molecular Weight 185.226 g/mol
SMILES N1\C=C/C2=CC=CC=C(\C=C/C1=O)C2
SPLASH splash10-0a4r-0900000000-a3f46d209be5bb64129b
Source of Spectrum AJ-60-3804-4
Synonyms (2Z,6Z)-5-azabicyclo[6.4.1]trideca-1(12),2,6,8,10-pentaen-4-one 4-azabicyclo[6.4.1]trideca-1(12),2,6,8,10-pentaen-5-one
Wiley ID 1182048