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1,5-Pentanediol, 3-methyl-3-phenyl-, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID DLk7aNI5FH1
InChI InChI=1S/C26H30O6S2/c1-21-9-13-24(14-10-21)33(27,28)31-19-17-26(3,23-7-5-4-6-8-23)18-20-32-34(29,30)25-15-11-22(2)12-16-25/h4-16H,17-20H2,1-3H3
InChIKey CYYJMYKGBCDIDZ-UHFFFAOYSA-N
Mol Weight 502.64 g/mol
Molecular Formula C26H30O6S2
Exact Mass 502.148381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jW99YByW4u
Name 1,5-Pentanediol, 3-methyl-3-phenyl-, bis(4-methylbenzenesulfonate)
Alternate Name(s) 1,5-Ditosyloxy-3-methyl-3-phenyl-pentane 3-Methyl-5-{[(4-methylphenyl)sulfonyl]oxy}-3-phenylpentyl 4-methylbenzenesulfonate
CAS Registry Number 35172-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O6S2
InChI InChI=1S/C26H30O6S2/c1-21-9-13-24(14-10-21)33(27,28)31-19-17-26(3,23-7-5-4-6-8-23)18-20-32-34(29,30)25-15-11-22(2)12-16-25/h4-16H,17-20H2,1-3H3
InChIKey CYYJMYKGBCDIDZ-UHFFFAOYSA-N
Molecular Weight 502.640 g/mol
SMILES c1(S(=O)(=O)OCCC(c2ccccc2)(CCOS(c2ccc(cc2)C)(=O)=O)C)ccc(cc1)C
SPLASH splash10-001l-6900000000-5eda793dbed17f2ff0be
Source of Spectrum K-118-835-25
Wiley ID 1399176