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3-(Carboxy)-8-fluoro-4,5-dihydroimidazo[1,5-a]benzo[f][1,4]diazepin-6-one
SpectraBase Compound ID 6tyI1rEAdOi
InChI InChI=1S/C12H8FN3O3/c13-6-1-2-8-7(3-6)11(17)14-4-9-10(12(18)19)15-5-16(8)9/h1-3,5H,4H2,(H,14,17)(H,18,19)
InChIKey WAORDMHVTGISOF-UHFFFAOYSA-N
Mol Weight 261.21 g/mol
Molecular Formula C12H8FN3O3
Exact Mass 261.054969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FXCF0ddZjr
Name 3-(Carboxy)-8-fluoro-4,5-dihydroimidazo[1,5-a]benzo[f][1,4]diazepin-6-one
Alternate Name(s) 8-Fluoro-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 8-Fluoro-6-oxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 8-Fluoranyl-6-oxidanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
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Formula C12H8FN3O3
InChI InChI=1S/C12H8FN3O3/c13-6-1-2-8-7(3-6)11(17)14-4-9-10(12(18)19)15-5-16(8)9/h1-3,5H,4H2,(H,14,17)(H,18,19)
InChIKey WAORDMHVTGISOF-UHFFFAOYSA-N
Molecular Weight 261.212 g/mol
SMILES OC(c1c2CNC(c3c(-[n]2cn1)ccc(c3)F)=O)=O
SPLASH splash10-029l-0490000000-70f399d96caa860c5301
Source of Spectrum O-26-638-2
Wiley ID 1264579