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1-Deoxy-2,4-o-methylene-3,5-bis(p-toluenesulfonyl)--D-xylitol

View entire compound with spectra: 1 NMR

1-Deoxy-2,4-o-methylene-3,5-bis(p-toluenesulfonyl)--D-xylitol
SpectraBase Compound ID INkIGOoPV2i
InChI InChI=1S/C20H24O8S2/c1-14-4-8-17(9-5-14)29(21,22)27-12-19-20(16(3)25-13-26-19)28-30(23,24)18-10-6-15(2)7-11-18/h4-11,16,19-20H,12-13H2,1-3H3
InChIKey XIMFTRORBZZVSB-UHFFFAOYSA-N
Mol Weight 456.52 g/mol
Molecular Formula C20H24O8S2
Exact Mass 456.09126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpQNUjyWhVG
Name 1-Deoxy-2,4-o-methylene-3,5-bis(p-toluenesulfonyl)--D-xylitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.091260073 u
Formula C20H24O8S2
InChI InChI=1S/C20H24O8S2/c1-14-4-8-17(9-5-14)29(21,22)27-12-19-20(16(3)25-13-26-19)28-30(23,24)18-10-6-15(2)7-11-18/h4-11,16,19-20H,12-13H2,1-3H3
InChIKey XIMFTRORBZZVSB-UHFFFAOYSA-N
Molecular Weight 456.524 g/mol
SMILES C1(OCOC(C1OS(=O)(=O)C1=CC=C(C)C=C1)C)COS(=O)(=O)C1=CC=C(C)C=C1