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[R-(S)]-3-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-SULFINYL]-PROPANE-NITRILE
SpectraBase Compound ID FZIM0mT4K6s
InChI InChI=1S/C17H23NO10S/c1-9(19)24-8-13-14(25-10(2)20)15(26-11(3)21)16(27-12(4)22)17(28-13)29(23)7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17+,29?/m1/s1
InChIKey NKLXPOCEODKYEX-DIOIGTNLSA-N
Mol Weight 433.43 g/mol
Molecular Formula C17H23NO10S
Exact Mass 433.104267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzQA1qo7j9s
Name [S-(S)]-3-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-SULFINYL]-PROPANE-NITRILE
Compound Number 2S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO10S
InChI InChI=1S/C17H23NO10S/c1-9(19)24-8-13-14(25-10(2)20)15(26-11(3)21)16(27-12(4)22)17(28-13)29(23)7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17+,29?/m1/s1
InChIKey NKLXPOCEODKYEX-DIOIGTNLSA-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 433.430 g/mol
Solvent CDCl3
Source File Reference UWMS25016