| SpectraBase Spectrum ID |
5fUjOWenmND |
| Name |
2-(benzylthio)-3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)benzo[d]thiazol-3-ium chloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32ClNO2S2 |
| InChI |
InChI=1S/C26H32NO2S2.ClH/c1-18(2)21-14-13-19(3)15-23(21)29-25(28)16-27-22-11-7-8-12-24(22)31-26(27)30-17-20-9-5-4-6-10-20;/h4-12,18-19,21,23H,13-17H2,1-3H3;1H/q+1;/p-1/t19-,21+,23-;/m1./s1 |
| InChIKey |
WWFQJNYXKREBGQ-CWKMFNGXSA-M |
| Literature Reference DOI |
10.1016/j.tetasy.2017.02.008 |
| Molecular Weight |
490.120 g/mol |
| SMILES |
[Cl-].c1(sc2c([n+]1CC(=O)O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])cccc2)SCc1ccccc1 |
| SPLASH |
splash10-0006-9611100000-bc84d9c072f9cff1df39 |
| Source of Spectrum |
Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2017.02.008 |
| Wiley ID |
1816349 |
![2-(benzylthio)-3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)benzo[d]thiazol-3-ium chloride](/api/spectrum/5fUjOWenmND/structure.png?h=300&w=458 "2-(benzylthio)-3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)benzo[d]thiazol-3-ium chloride")
