For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-cyclohexanedimethanol, di-p-toluenesulfonate
SpectraBase Compound ID KyhKSVD9RkZ
InChI InChI=1S/C22H28O6S2/c1-17-6-10-21(11-7-17)29(23,24)27-15-19-4-3-5-20(14-19)16-28-30(25,26)22-12-8-18(2)9-13-22/h6-13,19-20H,3-5,14-16H2,1-2H3
InChIKey HASQJTZGAUMBDP-UHFFFAOYSA-N
Mol Weight 452.58 g/mol
Molecular Formula C22H28O6S2
Exact Mass 452.132731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EEX7fcBu9sJ
Name cis/trans-1,3-Bis(tosyloxymethyl)cyclohexane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6S2
InChI InChI=1S/C22H28O6S2/c1-17-6-10-21(11-7-17)29(23,24)27-15-19-4-3-5-20(14-19)16-28-30(25,26)22-12-8-18(2)9-13-22/h6-13,19-20H,3-5,14-16H2,1-2H3
InChIKey HASQJTZGAUMBDP-UHFFFAOYSA-N
Molecular Weight 452.580 g/mol
SMILES c1(S(OCC2CC(COS(c3ccc(cc3)C)(=O)=O)CCC2)(=O)=O)ccc(cc1)C
SPLASH splash10-0a4i-0900000000-9a32bd4f836e5898cb58
Source of Spectrum KC-0-1727-6
Synonyms [3-({[(4-methylphenyl)sulfonyl]oxy}methyl)cyclohexyl]methyl 4-methylbenzenesulfonate
Wiley ID 828472