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[C-METHYL-(13)C]-4,4'-DIHYDROXY-ANTIPYRINE-SULFATE;[C-METHYL-(13)C]-DOHA-S
SpectraBase Compound ID FyBcuB7d9Ys
InChI InChI=1S/C11H12N2O6S/c1-7-10(19-20(16,17)18)11(15)13(12(7)2)8-3-5-9(14)6-4-8/h3-6,14H,1-2H3,(H,16,17,18)/i1+1
InChIKey SIQKUFPLVYVYMW-OUBTZVSYSA-N
Mol Weight 301.28 g/mol
Molecular Formula C1013CH12N2O6S
Exact Mass 301.044962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Pym64vFZrZ
Name [C-METHYL-(13)C]-4,4'-DIHYDROXY-ANTIPYRINE-SULFATE;[C-METHYL-(13)C]-DOHA-S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2O6S
InChI InChI=1S/C11H12N2O6S/c1-7-10(19-20(16,17)18)11(15)13(12(7)2)8-3-5-9(14)6-4-8/h3-6,14H,1-2H3,(H,16,17,18)/i1+1
InChIKey SIQKUFPLVYVYMW-OUBTZVSYSA-N
Literature Reference Author K.AKIRA,E.NEGISHI,C.SAKUMA,T.HASHIMOTO
Literature Reference Citation DRUG.MET.DISP.,27,1248(1999)
Molecular Weight 300.286 g/mol
Source File Reference UWLU74450