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JPGUBCVPLNAXHN-QYNIQEEDSA-N
SpectraBase Compound ID 3XvhguErGei
InChI InChI=1S/C11H17N3O6S/c15-8(16)3-13-10(18)7(4-21)14-9(17)5-1-6(11(19)20)12-2-5/h5-7,12,21H,1-4H2,(H,13,18)(H,14,17)(H,15,16)(H,19,20)/t5-,6-,7+/m1/s1
InChIKey JPGUBCVPLNAXHN-QYNIQEEDSA-N
Mol Weight 319.33 g/mol
Molecular Formula C11H17N3O6S
Exact Mass 319.083806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJXjrBEJZ9S
Name JPGUBCVPLNAXHN-QYNIQEEDSA-N
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H17N3O6S
InChI InChI=1S/C11H17N3O6S/c15-8(16)3-13-10(18)7(4-21)14-9(17)5-1-6(11(19)20)12-2-5/h5-7,12,21H,1-4H2,(H,13,18)(H,14,17)(H,15,16)(H,19,20)/t5-,6-,7+/m1/s1
InChIKey JPGUBCVPLNAXHN-QYNIQEEDSA-N
Literature Reference Author M.P.PARADISI,A.MOLLICA,I.CACCIATORE,A.D.STEFANO,F.PINNEN,A.M .CACCURI,G.RICCI,S.D
Literature Reference Citation BIOORG.MED.CHEM.,11,1677(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00041-5
Molecular Weight 319.332 g/mol
Sample ID 29249
Solvent D2O