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1,2-Cyclododecanediol, bis(4-methylbenzenesulfonate)

View entire compound with spectra: 2 MS (GC)

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 BMOcZ8mtHZf
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 508.1944
SMILES C1CCCCCCCC(OS(c2ccc(C)cc2)(=O)=O)C(OS(=O)(=O)c2ccc(C)cc2)CC1
SPLASH splash10-0a4l-9601000000-8502bf1491238d7a230d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany