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7-[(2-CARBOXYPHENYL)-THIO]-1-CYCLOPROPYL-6-FLUORO-8-NITRO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID KaSVGx425Fi
InChI InChI=1S/C20H13FN2O7S/c21-13-7-11-15(22(9-5-6-9)8-12(17(11)24)20(27)28)16(23(29)30)18(13)31-14-4-2-1-3-10(14)19(25)26/h1-4,7-9H,5-6H2,(H,25,26)(H,27,28)
InChIKey HHQTTYFJJILQBS-UHFFFAOYSA-N
Mol Weight 444.39 g/mol
Molecular Formula C20H13FN2O7S
Exact Mass 444.04275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2POgk90YX4R
Name 7-[(2-CARBOXYPHENYL)-THIO]-1-CYCLOPROPYL-6-FLUORO-8-NITRO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13FN2O7S
InChI InChI=1S/C20H13FN2O7S/c21-13-7-11-15(22(9-5-6-9)8-12(17(11)24)20(27)28)16(23(29)30)18(13)31-14-4-2-1-3-10(14)19(25)26/h1-4,7-9H,5-6H2,(H,25,26)(H,27,28)
InChIKey HHQTTYFJJILQBS-UHFFFAOYSA-N
Literature Reference Author M.H.AL-HUNITI,M.M.EL-ABADELAH,J.A.ZAHRA,S.S.SABRI,A.INGENDOH
Literature Reference Citation MOLECULES,12,1558(2007)
Literature Reference DOI 10.3390/12081558
Molecular Weight 444.391 g/mol
Sample ID 57463
Solvent DMSO-D6