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1-METHYL-7-FLUORO-1,4-DIHYDRO-4-OXO-8-[1'-(4'-N-(CHLOROMETHYLOXYCARBONYL)-PIPERAZINYL)]-3-BENZO-[B]-[1,8]-NAPHTHYRIDINE-CARBOXYLIC-ACID

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1-METHYL-7-FLUORO-1,4-DIHYDRO-4-OXO-8-[1'-(4'-N-(CHLOROMETHYLOXYCARBONYL)-PIPERAZINYL)]-3-BENZO-[B]-[1,8]-NAPHTHYRIDINE-CARBOXYLIC-ACID
SpectraBase Compound ID BjYmga6tuzb
InChI InChI=1S/C20H18ClFN4O5/c1-24-9-13(19(28)29)17(27)12-6-11-7-14(22)16(8-15(11)23-18(12)24)25-2-4-26(5-3-25)20(30)31-10-21/h6-9H,2-5,10H2,1H3,(H,28,29)
InChIKey NPXWKUYVBJNBCW-UHFFFAOYSA-N
Mol Weight 448.84 g/mol
Molecular Formula C20H18ClFN4O5
Exact Mass 448.094976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kFKWod6TqC
Name 1-METHYL-7-FLUORO-1,4-DIHYDRO-4-OXO-8-[1'-(4'-N-(CHLOROMETHYLOXYCARBONYL)-PIPERAZINYL)]-3-BENZO-[B]-[1,8]-NAPHTHYRIDINE-CARBOXYLIC-ACID
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18ClFN4O5
InChI InChI=1S/C20H18ClFN4O5/c1-24-9-13(19(28)29)17(27)12-6-11-7-14(22)16(8-15(11)23-18(12)24)25-2-4-26(5-3-25)20(30)31-10-21/h6-9H,2-5,10H2,1H3,(H,28,29)
InChIKey NPXWKUYVBJNBCW-UHFFFAOYSA-N
Literature Reference Author C.HENNARD,Q.C.TRUONG,J.F.DESNOTTES,J.M.PARIS,N.J.MOREAU,M.A. ABDALLAH
Literature Reference Citation J.MED.CHEM.,44,2139(2001)
Literature Reference DOI 10.1021/jm990508g
Molecular Weight 448.838 g/mol
Sample ID 44559
Solvent CDCl3