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6-Bromo-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one
SpectraBase Compound ID 80LG5nX2Kv
InChI InChI=1S/C13H9BrN2O/c14-9-5-3-7-11-12(9)15-10-6-2-1-4-8(10)13(17)16-11/h1-7,15H,(H,16,17)
InChIKey HCQBFQMKRHAPLN-UHFFFAOYSA-N
Mol Weight 289.13 g/mol
Molecular Formula C13H9BrN2O
Exact Mass 287.989826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGMJpQ54fAu
Name 6-Bromo-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one
Appearance Colorless crystals
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Formula C13H9BrN2O
InChI InChI=1S/C13H9BrN2O/c14-9-5-3-7-11-12(9)15-10-6-2-1-4-8(10)13(17)16-11/h1-7,15H,(H,16,17)
InChIKey HCQBFQMKRHAPLN-UHFFFAOYSA-N
Instrument Name Waters AutoSpec Premier
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4311
Molecular Weight 289.132 g/mol
Reported Formula C13H9(79)BrN2O
SMILES N1c2c(cccc2NC(c2ccccc12)=O)Br
SPLASH splash10-0a4u-0090000000-f3637efa92f29bdcfaf7
Source of Spectrum Y-58-1808-1f
Wiley ID 1879411