| SpectraBase Spectrum ID |
5M9Y6ETHiRj |
| Name |
4-methylbenzenesulfonic acid (1-tosyl-2-piperidyl)methyl ester |
| Alternate Name(s) |
[1-(4-methylphenyl)sulfonylpiperidin-2-yl]methyl 4-methylbenzenesulfonate
[1-(p-tolylsulfonyl)-2-piperidyl]methyl 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25NO5S2 |
| InChI |
InChI=1S/C20H25NO5S2/c1-16-6-10-19(11-7-16)27(22,23)21-14-4-3-5-18(21)15-26-28(24,25)20-12-8-17(2)9-13-20/h6-13,18H,3-5,14-15H2,1-2H3 |
| InChIKey |
JOQNCTBUGYMXIM-UHFFFAOYSA-N |
| Molecular Weight |
423.542 g/mol |
| SMILES |
C1(N(S(c2ccc(cc2)C)(=O)=O)CCCC1)COS(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-0006-9000000000-3cd48feb561377d39ea6 |
| Source of Spectrum |
KC-0-2928-12 |
| Wiley ID |
786914 |
