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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sFNYoD2vTe
Name (S8)-3-[(2,3,4,6-tetra-O-Acetyl-.beta.,D-glucopyranosyl)sulfinyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 433.428 g/mol
SMILES [C@]1([C@@](O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])([S+]([O-])CCC#N)[H])(OC(=O)C)[H]
SPLASH splash10-067i-9200000000-3e67eac06718049199a2
Source of Spectrum F-67-6928-2
Wiley ID 1570962