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

*Links on SpectraBase are not permalinks.

Toluene-4-sulfonic acid 2-[2-((1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-3-oxo-butyl ester

View entire compound with spectra: 1 MS (GC)

Toluene-4-sulfonic acid 2-[2-((1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-3-oxo-butyl ester
SpectraBase Compound ID Jd6OicNf4VM
InChI InChI=1S/C22H34O5S/c1-16-7-10-19(11-8-16)28(25,26)27-15-18(17(2)23)9-12-20-21(3,4)13-6-14-22(20,5)24/h7-8,10-11,18,20,24H,6,9,12-15H2,1-5H3/t18?,20-,22-/m0/s1
InChIKey XFNMUSPNDFCHID-KAOUJKNGSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H34O5S
Exact Mass 410.212695 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 C0RfOtAnTtD
Name Toluene-4-sulfonic acid 2-[2-((1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-3-oxo-butyl ester
Alternate Name(s) 2-[2'-(2''-Hydroxy-2'',6'',6''-trimethylcyclohexyl)ethyl]-3-oxobutyl p-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]-3-keto-butyl]ester 4-Methylbenzenesulfonic acid[2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]ethyl]-3-oxobutyl]ester [2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]-3-oxo-butyl]4-methylbenzenesulfonate [3-oxidanylidene-2-[2-[(1S,6S)-2,2,6-trimethyl-6-oxidanyl-cyclohexyl]ethyl]butyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]ethyl]-3-oxobutyl] ester [2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]ethyl]-3-oxobutyl] 4-methylbenzenesulfonate [2-[2-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]-3-oxo-butyl] 4-methylbenzenesulfonate [3-oxidanylidene-2-[2-[(1S,6S)-2,2,6-trimethyl-6-oxidanyl-cyclohexyl]ethyl]butyl] 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O5S
InChI InChI=1S/C22H34O5S/c1-16-7-10-19(11-8-16)28(25,26)27-15-18(17(2)23)9-12-20-21(3,4)13-6-14-22(20,5)24/h7-8,10-11,18,20,24H,6,9,12-15H2,1-5H3/t18?,20-,22-/m0/s1
InChIKey XFNMUSPNDFCHID-KAOUJKNGSA-N
Molecular Weight 410.569 g/mol
SMILES O[C@@]1([C@@](CCC(COS(c2ccc(cc2)C)(=O)=O)C(=O)C)(C(CCC1)(C)C)[H])C
SPLASH splash10-0006-9200000000-4e69da488b11afbb1b6a
Source of Spectrum MZ-34-194-16
Wiley ID 1582069