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[Benzyl-(7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonyl)amino]acetic acid, ethyl ester
SpectraBase Compound ID LLf3XVyyB7p
InChI InChI=1S/C23H22ClFN2O4/c1-3-26-13-17(22(29)16-10-19(25)18(24)11-20(16)26)23(30)27(14-21(28)31-4-2)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3
InChIKey OHDHYHJYJVWUKJ-UHFFFAOYSA-N
Mol Weight 444.89 g/mol
Molecular Formula C23H22ClFN2O4
Exact Mass 444.125213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1d6KDjnfels
Name [BENZYL-(7-CHLORO-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONYL)AMINO]ACETIC ACID, ETHYL ESTER
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Formula C23H22ClFN2O4
InChI InChI=1S/C23H22ClFN2O4/c1-3-26-13-17(22(29)16-10-19(25)18(24)11-20(16)26)23(30)27(14-21(28)31-4-2)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3
InChIKey OHDHYHJYJVWUKJ-UHFFFAOYSA-N
Molecular Weight 444.1247
SMILES c1(F)c(Cl)cc2c(C(=O)C(C(N(Cc3ccccc3)CC(=O)OCC)=O)=CN2CC)c1
SPLASH splash10-0f6x-3981000000-405742ff1045b6a8aa46
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany