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1,2-Cyclododecanediol, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID LOxOepstT8W
InChI InChI=1S/C26H36O6S2/c1-21-13-17-23(18-14-21)33(27,28)31-25-11-9-7-5-3-4-6-8-10-12-26(25)32-34(29,30)24-19-15-22(2)16-20-24/h13-20,25-26H,3-12H2,1-2H3
InChIKey IFAJNPLQYDIAQA-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C26H36O6S2
Exact Mass 508.195331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUl00IOxgsx
Name 1,2-Cyclododecanediol, bis(4-methylbenzenesulfonate)
Alternate Name(s) 4-Methylbenzenesulfonic acid (2-tosyloxycyclododecyl) ester 4-Methylbenzenesulfonic acid [2-(4-methylphenyl)sulfonyloxycyclododecyl] ester [2-(p-tolylsulfonyloxy)cyclododecyl] 4-methylbenzenesulfonate
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Formula C26H36O6S2
InChI InChI=1S/C26H36O6S2/c1-21-13-17-23(18-14-21)33(27,28)31-25-11-9-7-5-3-4-6-8-10-12-26(25)32-34(29,30)24-19-15-22(2)16-20-24/h13-20,25-26H,3-12H2,1-2H3
InChIKey IFAJNPLQYDIAQA-UHFFFAOYSA-N
Molecular Weight 508.688 g/mol
SMILES C1CCC(C(CCCCCCC1)OS(=O)(=O)c1ccc(cc1)C)OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4l-9601000000-40794508fe144bfe6a6a
Wiley ID 1480037