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7-(4-((2,4-Dimethoxyphenyl)sulfonyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID FnDtS579AYe
InChI InChI=1S/C24H26FN3O7S/c1-4-26-14-17(24(30)31)23(29)16-12-18(25)20(13-19(16)26)27-7-9-28(10-8-27)36(32,33)22-6-5-15(34-2)11-21(22)35-3/h5-6,11-14H,4,7-10H2,1-3H3,(H,30,31)
InChIKey KFXQKJLASZPYEA-UHFFFAOYSA-N
Mol Weight 519.54 g/mol
Molecular Formula C24H26FN3O7S
Exact Mass 519.14755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6j8fOQtNzVi
Name 7-(4-((2,4-Dimethoxyphenyl)sulfonyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Alternate Name(s) 7-[4-(2,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid 7-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid 7-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C24H26FN3O7S
InChI InChI=1S/C24H26FN3O7S/c1-4-26-14-17(24(30)31)23(29)16-12-18(25)20(13-19(16)26)27-7-9-28(10-8-27)36(32,33)22-6-5-15(34-2)11-21(22)35-3/h5-6,11-14H,4,7-10H2,1-3H3,(H,30,31)
InChIKey KFXQKJLASZPYEA-UHFFFAOYSA-N
Molecular Weight 519.544 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)CC)N1CCN(S(c2c(cc(cc2)OC)OC)(=O)=O)CC1)F)=O)=O
SPLASH splash10-014i-0000090000-9cc6e36e16c72c4a9a7a
Source of Spectrum F2-46-5494-3a
Wiley ID 1690222