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1,5-Pentanediol, 3-methyl-3-(4-methylphenyl)-, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID KUf6Z2isN4E
InChI InChI=1S/C27H32O6S2/c1-21-5-11-24(12-6-21)27(4,17-19-32-34(28,29)25-13-7-22(2)8-14-25)18-20-33-35(30,31)26-15-9-23(3)10-16-26/h5-16H,17-20H2,1-4H3
InChIKey YVESSSOKMSNDPV-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C27H32O6S2
Exact Mass 516.164031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SeFeye0li6
Name 1,5-Pentanediol, 3-methyl-3-(4-methylphenyl)-, bis(4-methylbenzenesulfonate)
Alternate Name(s) 1,5-Ditosyloxy-3-methyl-3(4-methylphenyl)pentane 3-Methyl-3-(4-methylphenyl)-5-{[(4-methylphenyl)sulfonyl]oxy}pentyl 4-methylbenzenesulfonate
CAS Registry Number 90663-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O6S2
InChI InChI=1S/C27H32O6S2/c1-21-5-11-24(12-6-21)27(4,17-19-32-34(28,29)25-13-7-22(2)8-14-25)18-20-33-35(30,31)26-15-9-23(3)10-16-26/h5-16H,17-20H2,1-4H3
InChIKey YVESSSOKMSNDPV-UHFFFAOYSA-N
Molecular Weight 516.667 g/mol
SMILES c1(S(=O)(=O)OCCC(c2ccc(cc2)C)(CCOS(c2ccc(cc2)C)(=O)=O)C)ccc(cc1)C
SPLASH splash10-0005-4900000000-d9ca40425855917af395
Source of Spectrum K-118-835-25
Wiley ID 1401397