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2,3-bis(p-Toluenesulfonyl)-4,6-o-benzylidene-polygalitol

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2,3-bis(p-Toluenesulfonyl)-4,6-o-benzylidene-polygalitol
SpectraBase Compound ID LwupCiUb9f6
InChI InChI=1S/C27H28O9S2/c1-18-8-12-21(13-9-18)37(28,29)35-24-17-32-23-16-33-27(20-6-4-3-5-7-20)34-25(23)26(24)36-38(30,31)22-14-10-19(2)11-15-22/h3-15,23-27H,16-17H2,1-2H3
InChIKey CCMZDLMLJYULRA-UHFFFAOYSA-N
Mol Weight 560.63 g/mol
Molecular Formula C27H28O9S2
Exact Mass 560.117475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrBflZN7bug
Name 2,3-bis(p-Toluenesulfonyl)-4,6-o-benzylidene-polygalitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.117474821 u
Formula C27H28O9S2
InChI InChI=1S/C27H28O9S2/c1-18-8-12-21(13-9-18)37(28,29)35-24-17-32-23-16-33-27(20-6-4-3-5-7-20)34-25(23)26(24)36-38(30,31)22-14-10-19(2)11-15-22/h3-15,23-27H,16-17H2,1-2H3
InChIKey CCMZDLMLJYULRA-UHFFFAOYSA-N
Molecular Weight 560.632 g/mol
SMILES C1(OCC2C(O1)C(C(CO2)OS(=O)(=O)C=1C=CC(=CC1)C)OS(=O)(=O)C=1C=CC(=CC1)C)C1=CC=CC=C1