| SpectraBase Spectrum ID |
3Sfb2f9ssJm |
| Name |
4-(Methylthio)benzhydryl-ammonium 4-toluenesulfonate |
| Alternate Name(s) |
[4-(methylsulfanyl)phenyl](phenyl)methanaminium 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23NO3S2 |
| InChI |
InChI=1S/C14H15NS.C7H8O3S/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,14H,15H2,1H3;2-5H,1H3,(H,8,9,10) |
| InChIKey |
QFSYAMMUZAPJHC-UHFFFAOYSA-N |
| Molecular Weight |
401.539 g/mol |
| SMILES |
[NH3+]C(c1ccc(cc1)SC)c1ccccc1.c1(S([O-])(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-0ik9-3960000000-6343ffda6893c90792cc |
| Source of Spectrum |
G-57-518-0 |
| Wiley ID |
813284 |
