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4,4,5,10-tetraketo-2,3-dihydro-1H-[1,4]thiazino[3,2-g]quinoline-7-carboxylic acid methyl ester
SpectraBase Compound ID 80KesqOCRfW
InChI InChI=1S/C13H10N2O6S/c1-21-13(18)7-3-2-6-8(15-7)11(17)12-9(10(6)16)14-4-5-22(12,19)20/h2-3,14H,4-5H2,1H3
InChIKey SLHHVHRXPHKAKB-UHFFFAOYSA-N
Mol Weight 322.29 g/mol
Molecular Formula C13H10N2O6S
Exact Mass 322.025957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gCr0SfmMnu
Name 4,4,5,10-tetraketo-2,3-dihydro-1H-[1,4]thiazino[3,2-g]quinoline-7-carboxylic acid methyl ester
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10N2O6S
InChI InChI=1S/C13H10N2O6S/c1-21-13(18)7-3-2-6-8(15-7)11(17)12-9(10(6)16)14-4-5-22(12,19)20/h2-3,14H,4-5H2,1H3
InChIKey SLHHVHRXPHKAKB-UHFFFAOYSA-N
Literature Reference Author A.N.PEARCE,E.W.CHIA,M.V.BERRIDGE,G.R.CLARK,J.L.HARPER,L.LARS EN,E.W.MAAS,M.J.PAGE
Literature Reference Citation J.NAT.PROD.,70,936(2007)
Literature Reference DOI 10.1021/np060626o
Molecular Weight 322.292 g/mol
Sample ID 30403
Solvent DMSO-D6