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1,2-o-Isopropylidene-3-o-tosyl-5-o-ethoxycarbonyl-D-xylofuranose
SpectraBase Compound ID 2WozorcRG9D
InChI InChI=1S/C18H24O9S/c1-5-22-17(19)23-10-13-14(15-16(24-13)26-18(3,4)25-15)27-28(20,21)12-8-6-11(2)7-9-12/h6-9,13-16H,5,10H2,1-4H3/t13-,14+,15-,16?/m1/s1
InChIKey CHKONDFYROLXIN-IUOOZAAYSA-N
Mol Weight 416.44 g/mol
Molecular Formula C18H24O9S
Exact Mass 416.114104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMdIZvhlkz0
Name 1,2-o-Isopropylidene-3-o-tosyl-5-o-ethoxycarbonyl-D-xylofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.114103518 u
Formula C18H24O9S
InChI InChI=1S/C18H24O9S/c1-5-22-17(19)23-10-13-14(15-16(24-13)26-18(3,4)25-15)27-28(20,21)12-8-6-11(2)7-9-12/h6-9,13-16H,5,10H2,1-4H3/t13-,14+,15-,16?/m1/s1
InChIKey CHKONDFYROLXIN-IUOOZAAYSA-N
Molecular Weight 416.441 g/mol
SMILES C12O[C@](COC(OCC)=O)([C@@]([C@]2(OC(O1)(C)C)[H])(OS(C=1C=CC(=CC1)C)(=O)=O)[H])[H]