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AYFFQQJQIGWFIL-UHFFFAOYSA-N

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AYFFQQJQIGWFIL-UHFFFAOYSA-N
SpectraBase Compound ID Fdf6Nq3LnSR
InChI InChI=1S/C21H34N6O12S2/c1-26(7-15(30)31)18(34)12(24-13(28)5-3-10(22)20(36)37)9-40-41-17(19(35)27(2)8-16(32)33)25-14(29)6-4-11(23)21(38)39/h10-12,17H,3-9,22-23H2,1-2H3,(H,24,28)(H,25,29)(H,30,31)(H,32,33)(H,36,37)(H,38,39)
InChIKey AYFFQQJQIGWFIL-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C21H34N6O12S2
Exact Mass 626.167613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GU4s4gAj1y
Name AYFFQQJQIGWFIL-UHFFFAOYSA-N
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34N6O12S2
InChI InChI=1S/C21H34N6O12S2/c1-26(7-15(30)31)18(34)12(24-13(28)5-3-10(22)20(36)37)9-40-41-17(19(35)27(2)8-16(32)33)25-14(29)6-4-11(23)21(38)39/h10-12,17H,3-9,22-23H2,1-2H3,(H,24,28)(H,25,29)(H,30,31)(H,32,33)(H,36,37)(H,38,39)
InChIKey AYFFQQJQIGWFIL-UHFFFAOYSA-N
Literature Reference Author D.BURG,D.V.FILIPPOV,R.HERMANNS,G.A.V.D.MAREL,J.H.V.BOOM,G.J. MULDER
Literature Reference Citation BIOORG.MED.CHEM.,10,195(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00269-3
Molecular Weight 626.654 g/mol
Solvent CD3OD
Source File Reference UWLU31208