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Toluene-4-sulfonic acid 5-benzenesulfonyl-1-methylpentyl ester
SpectraBase Compound ID 2cFMDjNGedm
InChI InChI=1S/C19H24O5S2/c1-16-11-13-19(14-12-16)26(22,23)24-17(2)8-6-7-15-25(20,21)18-9-4-3-5-10-18/h3-5,9-14,17H,6-8,15H2,1-2H3
InChIKey TWNUVMWKTABKHW-UHFFFAOYSA-N
Mol Weight 396.52 g/mol
Molecular Formula C19H24O5S2
Exact Mass 396.106516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kqFkGjbUTz
Name Toluene-4-sulfonic acid 5-benzenesulfonyl-1-methylpentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O5S2
InChI InChI=1S/C19H24O5S2/c1-16-11-13-19(14-12-16)26(22,23)24-17(2)8-6-7-15-25(20,21)18-9-4-3-5-10-18/h3-5,9-14,17H,6-8,15H2,1-2H3
InChIKey TWNUVMWKTABKHW-UHFFFAOYSA-N
Molecular Weight 396.516 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(CCCCS(=O)(=O)c1ccccc1)C
SPLASH splash10-053u-9220000000-877b937e210e77737970
Source of Spectrum F-53-9493-13
Synonyms 1-Methyl-5-(phenylsulfonyl)pentyl 4-methylbenzenesulfonate
Wiley ID 802884