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(S)-7-[(1-Carboxyethyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID L30i1ugR1OS
InChI InChI=1S/C16H14FN3O7/c1-6(15(22)23)18-11-10(17)4-8-12(13(11)20(26)27)19(7-2-3-7)5-9(14(8)21)16(24)25/h4-7,18H,2-3H2,1H3,(H,22,23)(H,24,25)/t6-/m0/s1
InChIKey FOHIBKNPPYKGOR-LURJTMIESA-N
Mol Weight 379.3 g/mol
Molecular Formula C16H14FN3O7
Exact Mass 379.081578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APLhQsk8lFf
Name (S)-7-[(1-Carboxyethyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Appearance Yellow solid
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Formula C16H14FN3O7
InChI InChI=1S/C16H14FN3O7/c1-6(15(22)23)18-11-10(17)4-8-12(13(11)20(26)27)19(7-2-3-7)5-9(14(8)21)16(24)25/h4-7,18H,2-3H2,1H3,(H,22,23)(H,24,25)/t6-/m0/s1
InChIKey FOHIBKNPPYKGOR-LURJTMIESA-N
Instrument Name Finnigan MAT TSQ-70??
Ionization Type EI
Molecular Weight 379.300 g/mol
Reported Formula C16H14FN3O7
SMILES N(c1c(cc2C(C(C(=O)O)=CN(c2c1[N+]([O-])=O)C1CC1)=O)F)[C@](C(=O)O)(C)[H]
SPLASH splash10-0019-8392000000-cd2ef46fbe22168fdb79
Source of Spectrum EP1721898B1
Wiley ID 1861536