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3-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-SULFONYL]-PROPANE-NITRILE
SpectraBase Compound ID 6PemmyA85A4
InChI InChI=1S/C17H23NO11S/c1-9(19)25-8-13-14(26-10(2)20)15(27-11(3)21)16(28-12(4)22)17(29-13)30(23,24)7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17+/m0/s1
InChIKey RPWCCXZPYPWWIC-ZOFXXKQRSA-N
Mol Weight 449.43 g/mol
Molecular Formula C17H23NO11S
Exact Mass 449.099182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63v8tA6PUC2
Name 3-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-SULFONYL]-PROPANE-NITRILE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO11S
InChI InChI=1S/C17H23NO11S/c1-9(19)25-8-13-14(26-10(2)20)15(27-11(3)21)16(28-12(4)22)17(29-13)30(23,24)7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17+/m0/s1
InChIKey RPWCCXZPYPWWIC-ZOFXXKQRSA-N
Literature Reference Author V.AUCAGNE,M.C.AVERSA,A.BARATTUCCI,P.BONACCORSI,P.GIANNETTO,P .ROLLIN,A.TATIBOUET
Literature Reference Citation J.ORG.CHEM.,67,6925(2002)
Literature Reference DOI 10.1021/jo025938k
Molecular Weight 449.430 g/mol
Solvent CDCl3
Source File Reference UWMS25018