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1,3-Dioxolane-4,5-dimethanol, 2-phenyl-, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID 9CMWgBDZKZ8
InChI InChI=1S/C25H26O8S2/c1-18-8-12-21(13-9-18)34(26,27)30-16-23-24(33-25(32-23)20-6-4-3-5-7-20)17-31-35(28,29)22-14-10-19(2)11-15-22/h3-15,23-25H,16-17H2,1-2H3
InChIKey AYEPZHONXQNGPO-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C25H26O8S2
Exact Mass 518.10691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78JJLr9m5yS
Name 1,3-Dioxolane-4,5-dimethanol, 2-phenyl-, bis(4-methylbenzenesulfonate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.106910137 u
Formula C25H26O8S2
InChI InChI=1S/C25H26O8S2/c1-18-8-12-21(13-9-18)34(26,27)30-16-23-24(33-25(32-23)20-6-4-3-5-7-20)17-31-35(28,29)22-14-10-19(2)11-15-22/h3-15,23-25H,16-17H2,1-2H3
InChIKey AYEPZHONXQNGPO-UHFFFAOYSA-N
Molecular Weight 518.595 g/mol
SMILES C(OS(C1=CC=C(C=C1)C)(=O)=O)C1OC(C2=CC=CC=C2)OC1COS(C1=CC=C(C=C1)C)(=O)=O