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Acetic acid, 2-acetoxy-3-(toluene-3-sulfonyloxy)-1-(toluene-4-sulfonyloxymethyl)propyl ester
SpectraBase Compound ID C9rmUSzO8y4
InChI InChI=1S/C22H26O10S2/c1-15-8-10-19(11-9-15)33(25,26)29-13-21(31-17(3)23)22(32-18(4)24)14-30-34(27,28)20-7-5-6-16(2)12-20/h5-12,21-22H,13-14H2,1-4H3
InChIKey HMNLBUJQLTVFJR-UHFFFAOYSA-N
Mol Weight 514.56 g/mol
Molecular Formula C22H26O10S2
Exact Mass 514.096739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XAutXNkBeo
Name ACETIC ACID, 2-ACETOXY-3-(TOLUENE-3-SULFONYLOXY)-1-(TOLUENE-4-SULFONYLOXYMETHYL)PROPYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H26O10S2
InChI InChI=1S/C22H26O10S2/c1-15-8-10-19(11-9-15)33(25,26)29-13-21(31-17(3)23)22(32-18(4)24)14-30-34(27,28)20-7-5-6-16(2)12-20/h5-12,21-22H,13-14H2,1-4H3
InChIKey HMNLBUJQLTVFJR-UHFFFAOYSA-N
Molecular Weight 514.0960
SMILES c1c(C)ccc(S(OCC(C(COS(c2cc(C)ccc2)(=O)=O)OC(C)=O)OC(C)=O)(=O)=O)c1
SPLASH splash10-0006-9411000000-40807bfd636bb246524f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany