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8-Bromo-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
SpectraBase Compound ID 1NqOB0KUPy9
InChI InChI=1S/C13H8BrF2NO3/c14-9-10(16)8(15)3-6-11(9)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChIKey MCDRIANIIJQLRK-UHFFFAOYSA-N
Mol Weight 344.11 g/mol
Molecular Formula C13H8BrF2NO3
Exact Mass 342.965562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69SkrgVqE19
Name 8-Bromo-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Alternate Name(s) 8-bromanyl-1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid 8-bromo-1-cyclopropyl-6,7-difluoro-4-keto-quinoline-3-carboxylic acid 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxo-3-quinolinecarboxylic acid 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C13H8BrF2NO3
InChI InChI=1S/C13H8BrF2NO3/c14-9-10(16)8(15)3-6-11(9)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChIKey MCDRIANIIJQLRK-UHFFFAOYSA-N
Molecular Weight 344.112 g/mol
SMILES OC(C1=CN(c2c(cc(c(c2Br)F)F)C1=O)C1CC1)=O
SPLASH splash10-004i-0009000000-82ec917b66d2a007a632
Source of Spectrum Y-33-1410-7
Wiley ID 1337115