| SpectraBase Spectrum ID |
B2Zn1I95fYQ |
| Name |
2-(methylthio)-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 |
C20H26ClNO2S2 |
| InChI |
InChI=1S/C20H26NO2S2.ClH/c1-19(2)13-9-10-20(19,3)16(11-13)23-17(12-22)21-14-7-5-6-8-15(14)25-18(21)24-4;/h5-8,12-13,16-17H,9-11H2,1-4H3;1H/q+1;/p-1/t13-,16-,17?,20-;/m1./s1 |
| InChIKey |
ILTBDXVNSWMSQL-QLTPNQDDSA-M |
| Literature Reference DOI |
10.1016/j.tetasy.2017.02.008 |
| Molecular Weight |
412.006 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)SC |
| SPLASH |
splash10-001v-7921000000-35b5f4a11f824ed2f461 |
| Source of Spectrum |
Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2017.02.008 |
| Wiley ID |
1816350 |
![2-(methylthio)-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/B2Zn1I95fYQ/structure.png?h=300&w=458 "2-(methylthio)-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")
