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8-FLUORO-3-[(4-METHYLPHENYL)-SULFONYL]-1H-[1,2,4]-TRIAZINO-[1,6-A]-QUINOLINE-2,4,6(3H)-TRIONE
SpectraBase Compound ID DGUByuYJoST
InChI InChI=1S/C18H12FN3O5S/c1-10-2-5-12(6-3-10)28(26,27)22-17(24)15-9-16(23)13-8-11(19)4-7-14(13)21(15)20-18(22)25/h2-9H,1H3,(H,20,25)
InChIKey CHLDFHPIZBVPMW-UHFFFAOYSA-N
Mol Weight 401.37 g/mol
Molecular Formula C18H12FN3O5S
Exact Mass 401.04817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5D4ZlpCjHij
Name 8-FLUORO-3-[(4-METHYLPHENYL)-SULFONYL]-1H-[1,2,4]-TRIAZINO-[1,6-A]-QUINOLINE-2,4,6(3H)-TRIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12FN3O5S
InChI InChI=1S/C18H12FN3O5S/c1-10-2-5-12(6-3-10)28(26,27)22-17(24)15-9-16(23)13-8-11(19)4-7-14(13)21(15)20-18(22)25/h2-9H,1H3,(H,20,25)
InChIKey CHLDFHPIZBVPMW-UHFFFAOYSA-N
Literature Reference Author D.EDMONT,C.MAROT,J.CHENAULT
Literature Reference Citation J.HETCYCL.CHEM.,39,1161(2002)
Literature Reference DOI 10.1002/jhet.5570390608
Molecular Weight 401.369 g/mol
Solvent DMSO-D6
Source File Reference UWSI20625