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2,4-o-Methylene-1,3,5-o-tritosyl-xylitol

View entire compound with spectra: 1 NMR

2,4-o-Methylene-1,3,5-o-tritosyl-xylitol
SpectraBase Compound ID CMaiSetj0YS
InChI InChI=1S/C27H30O11S3/c1-19-4-10-22(11-5-19)39(28,29)36-16-25-27(38-41(32,33)24-14-8-21(3)9-15-24)26(35-18-34-25)17-37-40(30,31)23-12-6-20(2)7-13-23/h4-15,25-27H,16-18H2,1-3H3
InChIKey DIBUYMNTPYODNX-UHFFFAOYSA-N
Mol Weight 626.71 g/mol
Molecular Formula C27H30O11S3
Exact Mass 626.095025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsNmMSOyFZ8
Name 2,4-o-Methylene-1,3,5-o-tritosyl-xylitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.095025297 u
Formula C27H30O11S3
InChI InChI=1S/C27H30O11S3/c1-19-4-10-22(11-5-19)39(28,29)36-16-25-27(38-41(32,33)24-14-8-21(3)9-15-24)26(35-18-34-25)17-37-40(30,31)23-12-6-20(2)7-13-23/h4-15,25-27H,16-18H2,1-3H3
InChIKey DIBUYMNTPYODNX-UHFFFAOYSA-N
Molecular Weight 626.706 g/mol
SMILES C1(OCOC(C1OS(=O)(=O)C1=CC=C(C)C=C1)COS(=O)(=O)C1=CC=C(C)C=C1)COS(=O)(=O)C1=CC=C(C)C=C1