| SpectraBase Spectrum ID |
2MwncU3g5mL |
| Name |
3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-2-(methylthio)benzo[d]thiazol-3-ium chloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28ClNO2S2 |
| InChI |
InChI=1S/C20H28NO2S2.ClH/c1-13(2)15-10-9-14(3)11-17(15)23-19(22)12-21-16-7-5-6-8-18(16)25-20(21)24-4;/h5-8,13-15,17H,9-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,17-;/m1./s1 |
| InChIKey |
DFUMPCPAIXUYPS-WKLLBTDKSA-M |
| Literature Reference DOI |
10.1016/j.tetasy.2017.02.008 |
| Molecular Weight |
414.022 g/mol |
| SMILES |
[Cl-].c1(sc2c([n+]1CC(=O)O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])cccc2)SC |
| SPLASH |
splash10-053r-9641000000-21534974690d60e8534e |
| Source of Spectrum |
Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2017.02.008 |
| Wiley ID |
1816348 |
![3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-2-(methylthio)benzo[d]thiazol-3-ium chloride](/api/spectrum/2MwncU3g5mL/structure.png?h=300&w=458 "3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-2-(methylthio)benzo[d]thiazol-3-ium chloride")
