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Berninamycinate anion

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Berninamycinate anion
SpectraBase Compound ID FdVSKojeqSR
InChI InChI=1S/C12H6N2O5S/c15-8-3-14-7(12(18)19)4-20-10(14)5-1-2-6(11(16)17)13-9(5)8/h1-4H,(H2-,15,16,17,18,19)/p-1
InChIKey DIMURAJMXAKHFN-UHFFFAOYSA-M
Mol Weight 289.24 g/mol
Molecular Formula C12H5N2O5S
Exact Mass 288.991917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWbRsbwWshk
Name Berninamycinate anion
Comments PH 9.0 CATION IS AMMONIUM
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Formula C12H5N2O5S
InChI InChI=1S/C12H6N2O5S/c15-8-3-14-7(12(18)19)4-20-10(14)5-1-2-6(11(16)17)13-9(5)8/h1-4H,(H2-,15,16,17,18,19)/p-1
InChIKey DIMURAJMXAKHFN-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference J.M. Liesch, D.S. Millington, R.C.Pandey, J. Am. Chem. Soc. 98, 8237 (1976).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O