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NAG-THIOAZOLINE
SpectraBase Compound ID KgzdwXyUhdE
InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m0/s1
InChIKey DRHXTSWSUAJOJZ-WXUMCUSRSA-N
Mol Weight 219.25 g/mol
Molecular Formula C8H13NO4S
Exact Mass 219.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8tgG7QvYiA
Name NAG-THIOAZOLINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13NO4S
InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m0/s1
InChIKey DRHXTSWSUAJOJZ-WXUMCUSRSA-N
Literature Reference Author S.KNAPP,D.VOCADLO,Z.GAO,B.KIRK,J.LOU,S.G.WITHERS
Literature Reference Citation J.AM.CHEM.SOC.,118,6804(1996)
Literature Reference DOI 10.1021/ja960826u
Molecular Weight 219.256 g/mol
Sample ID 36055
Solvent D2O