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1-(1'-Aza-2'-carboxy-3'-(2''-acetamido-vinylsulfinyl)-7'-oxo-bicyclo(3.2.0)hept-2-ene-6-yl)-ethyl sulfate dication

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1-(1'-Aza-2'-carboxy-3'-(2''-acetamido-vinylsulfinyl)-7'-oxo-bicyclo(3.2.0)hept-2-ene-6-yl)-ethyl sulfate dication
SpectraBase Compound ID BhLJOZK2szx
InChI InChI=1S/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)/p-2/b4-3+
InChIKey OIUMWDNCAIKVGD-ONEGZZNKSA-L
Mol Weight 406.38 g/mol
Molecular Formula C13H14N2O9S2
Exact Mass 406.014072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kY5DPSyOwi
Name 1-(1'-Aza-2'-carboxy-3'-(2''-acetamido-vinylsulfinyl)-7'-oxo-bicyclo(3.2.0)hept-2-ene-6-yl)-ethyl sulfate dication
Comments SHIFT CONVERSION FACTOR NOT GIVEN IN REF.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14N2O9S2
InChI InChI=1S/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)/p-2/b4-3+
InChIKey OIUMWDNCAIKVGD-ONEGZZNKSA-L
Literature Reference A.G. Brown, T.T. Howarth, J. Chem. Soc. Chem. Comm. 523 (1977).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O