| SpectraBase Spectrum ID |
BfrDYFhBxuQ |
| Name |
2-(benzylthio)-3-(2-oxo-1-(((1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)benzo[d]thiazol-3-ium chloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30ClNO2S2 |
| InChI |
InChI=1S/C26H30NO2S2.ClH/c1-25(2)19-13-14-26(25,3)22(15-19)29-23(16-28)27-20-11-7-8-12-21(20)31-24(27)30-17-18-9-5-4-6-10-18;/h4-12,16,19,22-23H,13-15,17H2,1-3H3;1H/q+1;/p-1/t19-,22-,23?,26-;/m1./s1 |
| InChIKey |
XDMMJCHYVISXRK-LXSMASICSA-M |
| Literature Reference DOI |
10.1016/j.tetasy.2017.02.008 |
| Molecular Weight |
488.104 g/mol |
| SMILES |
[Cl-].c1(sc2c([n+]1C(C=O)O[C@]1([C@]3(CC[C@](C1)(C3(C)C)[H])C)[H])cccc2)SCc1ccccc1 |
| SPLASH |
splash10-0006-9130000000-f8808c65e517b1a5021e |
| Source of Spectrum |
Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2017.02.008 |
| Wiley ID |
1816351 |
![2-(benzylthio)-3-(2-oxo-1-(((1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)benzo[d]thiazol-3-ium chloride](/api/spectrum/BfrDYFhBxuQ/structure.png?h=300&w=458 "2-(benzylthio)-3-(2-oxo-1-(((1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)benzo[d]thiazol-3-ium chloride")
