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2,2-dimethyl-1,3-propanediol, di-p-toluenesulfonate

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

2,2-dimethyl-1,3-propanediol, di-p-toluenesulfonate
SpectraBase Compound ID I52oHOYJvxe
InChI InChI=1S/C19H24O6S2/c1-15-5-9-17(10-6-15)26(20,21)24-13-19(3,4)14-25-27(22,23)18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-4H3
InChIKey LJISGCCLDDOYIJ-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C19H24O6S2
Exact Mass 412.101431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKFgRWBzvIo
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H24O6S2
InChI InChI=1S/C19H24O6S2/c1-15-5-9-17(10-6-15)26(20,21)24-13-19(3,4)14-25-27(22,23)18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-4H3
InChIKey LJISGCCLDDOYIJ-UHFFFAOYSA-N
Molecular Weight 412.1008
SMILES Cc1ccc(S(OCC(COS(c2ccc(C)cc2)(=O)=O)(C)C)(=O)=O)cc1
SPLASH splash10-052f-9300000000-4d677f5994d9b02c7a0b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany