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1,1,1-TRIS-(TOSYL-METHYL)-ETHANE
SpectraBase Compound ID Ka1aU41BcKI
InChI InChI=1S/C26H30O9S3/c1-20-5-11-23(12-6-20)36(27,28)33-17-26(4,18-34-37(29,30)24-13-7-21(2)8-14-24)19-35-38(31,32)25-15-9-22(3)10-16-25/h5-16H,17-19H2,1-4H3
InChIKey OISZLYCPHKTMGI-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C26H30O9S3
Exact Mass 582.105196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D38g0GAyWRn
Name 2-Methyl-3-([(4-methylphenyl)sulfonyl]oxy)-2-(([(4-methylphenyl)sulfonyl]oxy)methyl)propyl 4-methylbenzenesulfonate
CAS Registry Number 2387-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O9S3
InChI InChI=1S/C26H30O9S3/c1-20-5-11-23(12-6-20)36(27,28)33-17-26(4,18-34-37(29,30)24-13-7-21(2)8-14-24)19-35-38(31,32)25-15-9-22(3)10-16-25/h5-16H,17-19H2,1-4H3
InChIKey OISZLYCPHKTMGI-UHFFFAOYSA-N
Molecular Weight 582.697 g/mol
SMILES Cc1ccc(S(OCC(COS(c2ccc(C)cc2)(=O)=O)(COS(=O)(=O)c2ccc(cc2)C)C)(=O)=O)cc1
SPLASH splash10-052f-9500000000-303b359f4000239623b1
Synonyms 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(4-methylbenzenesulfonate) 4-Methylbenzenesulfonic acid [2-methyl-3-(4-methylphenyl)sulfonyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]propyl] ester [2-methyl-3-(p-tolylsulfonyloxy)-2-(p-tolylsulfonyloxymethyl)propyl] 4-methylbenzenesulfonate [2-methyl-3-(4-methylphenyl)sulfonyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate
Wiley ID 1486776