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1,2-Cyclohexanediol, bis(4-methylbenzenesulfonate) trans-
SpectraBase Compound ID LCtRQtySwFU
InChI InChI=1S/C22H28O6S2/c1-17-7-11-21(12-8-17)29(23,24)27-15-19-5-3-4-6-20(19)16-28-30(25,26)22-13-9-18(2)10-14-22/h7-14,19-20H,3-6,15-16H2,1-2H3
InChIKey NURPVCDXVUVFBY-UHFFFAOYSA-N
Mol Weight 452.58 g/mol
Molecular Formula C22H28O6S2
Exact Mass 452.132731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQpdJM9pF5P
Name 1,2-Cyclohexanediol, bis(4-methylbenzenesulfonate) trans-
Alternate Name(s) [2-(p-tolylsulfonyloxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate [2-[(4-methylphenyl)sulfonyloxymethyl]cyclohexyl]methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonyloxymethyl]cyclohexyl]methyl ester
CAS Registry Number 62208-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6S2
InChI InChI=1S/C22H28O6S2/c1-17-7-11-21(12-8-17)29(23,24)27-15-19-5-3-4-6-20(19)16-28-30(25,26)22-13-9-18(2)10-14-22/h7-14,19-20H,3-6,15-16H2,1-2H3
InChIKey NURPVCDXVUVFBY-UHFFFAOYSA-N
Molecular Weight 452.580 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCC1CCCCC1COS(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0a4l-9810000000-af653d906fa194383454
Wiley ID 1483344