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1,5-Pentanediol, 3-methyl-3-(3-methylphenyl)-, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID 3ACNOximccn
InChI InChI=1S/C27H32O6S2/c1-21-8-12-25(13-9-21)34(28,29)32-18-16-27(4,24-7-5-6-23(3)20-24)17-19-33-35(30,31)26-14-10-22(2)11-15-26/h5-15,20H,16-19H2,1-4H3
InChIKey QUFOWAZBYNLHKR-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 43gLoIajQLY
Name 1,5-Pentanediol, 3-methyl-3-(3-methylphenyl)-, bis(4-methylbenzenesulfonate)
Alternate Name(s) 3-Methyl-3-(3-methylphenyl)-1,5-ditosyloxypentane 3-Methyl-3-(3-methylphenyl)-5-{[(4-methylphenyl)sulfonyl]oxy}pentyl 4-methylbenzenesulfonate
CAS Registry Number 96184-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O6S2
InChI InChI=1S/C27H32O6S2/c1-21-8-12-25(13-9-21)34(28,29)32-18-16-27(4,24-7-5-6-23(3)20-24)17-19-33-35(30,31)26-14-10-22(2)11-15-26/h5-15,20H,16-19H2,1-4H3
InChIKey QUFOWAZBYNLHKR-UHFFFAOYSA-N
Molecular Weight 516.667 g/mol
SMILES c1(S(=O)(=O)OCCC(c2cc(C)ccc2)(CCOS(c2ccc(cc2)C)(=O)=O)C)ccc(cc1)C
SPLASH splash10-0002-2900000000-c8c6ced6eb5c295cac10
Source of Spectrum K-118-835-25
Wiley ID 1401398