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7-[(2-CARBOXYETHYL)-THIO]-1-CYCLOPROPYL-6-FLUORO-8-NITRO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID Jof4QfJcsLL
InChI InChI=1S/C16H13FN2O7S/c17-10-5-8-12(13(19(25)26)15(10)27-4-3-11(20)21)18(7-1-2-7)6-9(14(8)22)16(23)24/h5-7H,1-4H2,(H,20,21)(H,23,24)
InChIKey BESSDBFSFFOAGU-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C16H13FN2O7S
Exact Mass 396.04275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHOTwuCqKFx
Name 7-[(2-CARBOXYETHYL)-THIO]-1-CYCLOPROPYL-6-FLUORO-8-NITRO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13FN2O7S
InChI InChI=1S/C16H13FN2O7S/c17-10-5-8-12(13(19(25)26)15(10)27-4-3-11(20)21)18(7-1-2-7)6-9(14(8)22)16(23)24/h5-7H,1-4H2,(H,20,21)(H,23,24)
InChIKey BESSDBFSFFOAGU-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 396.347 g/mol
Sample ID 57460
Solvent DMSO-D6