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6-(2-ETHOXY-2-OXOETHOXY)-2-(2-ETHOXY-2-OXOETHYL)-8-FLUORO-4-HYDROXY-1-OXO-1H,2H-[1,2,4]-TRIAZINO-[4,5-A]-QUINOLINE-11-IUM
SpectraBase Compound ID GO8m2IvWR5g
InChI InChI=1S/C19H18FN3O7.BrH/c1-3-28-16(24)9-22-19(27)23-13-6-5-11(20)7-12(13)15(8-14(23)18(26)21-22)30-10-17(25)29-4-2;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKey VVVVRPPAHKXLEA-UHFFFAOYSA-N
Mol Weight 500.28 g/mol
Molecular Formula C19H19BrFN3O7
Exact Mass 499.039041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWekDBhPcaS
Name 6-(2-ETHOXY-2-OXOETHOXY)-2-(2-ETHOXY-2-OXOETHYL)-8-FLUORO-4-HYDROXY-1-OXO-1H,2H-[1,2,4]-TRIAZINO-[4,5-A]-QUINOLINE-11-IUM
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19BrFN3O7
InChI InChI=1S/C19H18FN3O7.BrH/c1-3-28-16(24)9-22-19(27)23-13-6-5-11(20)7-12(13)15(8-14(23)18(26)21-22)30-10-17(25)29-4-2;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKey VVVVRPPAHKXLEA-UHFFFAOYSA-N
Literature Reference Author D.EDMONT,J.CHENAULT
Literature Reference Citation J.HETCYCL.CHEM.,40,789(2003)
Literature Reference DOI 10.1002/jhet.5570400507
Molecular Weight 500.278 g/mol
Solvent DMSO-D6
Source File Reference UWMS22687