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8-AMINO-7-[(2-CARBOXYPHENYL)-THIO]-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID FscUcrFojwA
InChI InChI=1S/C20H15FN2O5S/c21-13-7-11-16(23(9-5-6-9)8-12(17(11)24)20(27)28)15(22)18(13)29-14-4-2-1-3-10(14)19(25)26/h1-4,7-9H,5-6,22H2,(H,25,26)(H,27,28)
InChIKey TVTZQZGPEKLHCC-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C20H15FN2O5S
Exact Mass 414.068571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASsy0O2eTk9
Name 8-AMINO-7-[(2-CARBOXYPHENYL)-THIO]-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15FN2O5S
InChI InChI=1S/C20H15FN2O5S/c21-13-7-11-16(23(9-5-6-9)8-12(17(11)24)20(27)28)15(22)18(13)29-14-4-2-1-3-10(14)19(25)26/h1-4,7-9H,5-6,22H2,(H,25,26)(H,27,28)
InChIKey TVTZQZGPEKLHCC-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 414.408 g/mol
Sample ID 57464
Solvent DMSO-D6