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N-4-(AMINOSULFONYL)-BENZYL-S-(1-THIO-BETA-D-GALACTOPYRANOSYL)-SULFONAMIDE
SpectraBase Compound ID 9CTZAkHqfz8
InChI InChI=1S/C13H20N2O9S2/c14-25(20,21)8-3-1-7(2-4-8)5-15-26(22,23)13-12(19)11(18)10(17)9(6-16)24-13/h1-4,9-13,15-19H,5-6H2,(H2,14,20,21)/t9-,10+,11+,12-,13+/m0/s1
InChIKey GQMYXUSHBXLGED-CKIKVBCHSA-N
Mol Weight 412.43 g/mol
Molecular Formula C13H20N2O9S2
Exact Mass 412.061023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jo7Qgr1R8B5
Name N-4-(AMINOSULFONYL)-BENZYL-S-(1-THIO-BETA-D-GALACTOPYRANOSYL)-SULFONAMIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20N2O9S2
InChI InChI=1S/C13H20N2O9S2/c14-25(20,21)8-3-1-7(2-4-8)5-15-26(22,23)13-12(19)11(18)10(17)9(6-16)24-13/h1-4,9-13,15-19H,5-6H2,(H2,14,20,21)/t9-,10+,11+,12-,13+/m0/s1
InChIKey GQMYXUSHBXLGED-CKIKVBCHSA-N
Literature Reference Author M.LOPEZ,L.F.BORNAGHI,A.INNOCENTI,D.VULLO,S.A.CHARMAN,C.T.SUP URAN,S.A.POULSEN
Literature Reference Citation J.MED.CHEM.,53,2913(2010)
Literature Reference DOI 10.1021/jm901888x
Molecular Weight 412.430 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46606