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(S,S)-2-(Hydroxymethyl)-2-phenyl-4,5-bis(p-toluenesulfonyloxymethyl)-1,3-dioxolane
SpectraBase Compound ID K53oHbBD0xE
InChI InChI=1S/C26H28O9S2/c1-19-8-12-22(13-9-19)36(28,29)32-16-24-25(17-33-37(30,31)23-14-10-20(2)11-15-23)35-26(18-27,34-24)21-6-4-3-5-7-21/h3-15,24-25,27H,16-18H2,1-2H3/t24-,25-/m0/s1
InChIKey AIIYELZOYGQSQI-DQEYMECFSA-N
Mol Weight 548.62 g/mol
Molecular Formula C26H28O9S2
Exact Mass 548.117475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIIwqel2EEF
Name (S,S)-2-(Hydroxymethyl)-2-phenyl-4,5-bis(p-toluenesulfonyloxymethyl)-1,3-dioxolane
Alternate Name(s) [(4S,5S)-2-(hydroxymethyl)-5-({[(4-methylphenyl)sulfonyl]oxy}methyl)-2-phenyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O9S2
InChI InChI=1S/C26H28O9S2/c1-19-8-12-22(13-9-19)36(28,29)32-16-24-25(17-33-37(30,31)23-14-10-20(2)11-15-23)35-26(18-27,34-24)21-6-4-3-5-7-21/h3-15,24-25,27H,16-18H2,1-2H3/t24-,25-/m0/s1
InChIKey AIIYELZOYGQSQI-DQEYMECFSA-N
Molecular Weight 548.621 g/mol
SMILES OCC1(O[C@]([C@@](O1)(COS(c1ccc(cc1)C)(=O)=O)[H])(COS(c1ccc(cc1)C)(=O)=O)[H])c1ccccc1
SPLASH splash10-0a4i-3900040000-7b9373c05aa66031e05c
Source of Spectrum QC-6-1981-8
Wiley ID 869037