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1-CYCLOPROPYL-6-FLUORO-4,12-DIOXO-10-SULFO-4,7,12,13-TETRAHYDRO-1H-QUINO-[7,8-B]-[1,4]-BENZODIAZEPINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID IRK6qm4pxh5
InChI InChI=1S/C20H14FN3O7S/c21-13-6-11-17(24(8-1-2-8)7-12(18(11)25)20(27)28)16-15(13)22-14-4-3-9(32(29,30)31)5-10(14)19(26)23-16/h3-8,22H,1-2H2,(H,23,26)(H,27,28)(H,29,30,31)
InChIKey ONNHXPBKRSOYER-UHFFFAOYSA-N
Mol Weight 459.4 g/mol
Molecular Formula C20H14FN3O7S
Exact Mass 459.053649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd5CSqkq8cN
Name 1-CYCLOPROPYL-6-FLUORO-4,12-DIOXO-10-SULFO-4,7,12,13-TETRAHYDRO-1H-QUINO-[7,8-B]-[1,4]-BENZODIAZEPINE-3-CARBOXYLIC-ACID
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14FN3O7S
InChI InChI=1S/C20H14FN3O7S/c21-13-6-11-17(24(8-1-2-8)7-12(18(11)25)20(27)28)16-15(13)22-14-4-3-9(32(29,30)31)5-10(14)19(26)23-16/h3-8,22H,1-2H2,(H,23,26)(H,27,28)(H,29,30,31)
InChIKey ONNHXPBKRSOYER-UHFFFAOYSA-N
Literature Reference Author Y.M.AL-HIARI,R.ABU-DAHAB,M.M.EL-ABADELAH
Literature Reference Citation MOLECULES,13,2880(2008)
Literature Reference DOI 10.3390/molecules13112880
Molecular Weight 459.405 g/mol
Sample ID 56854
Solvent DMSO-D6