2-(benzylthio)-3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)benzo[d]thiazol-3-ium chloride
Compound with spectra: 1 MS (GC)
![2-(benzylthio)-3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)benzo[d]thiazol-3-ium chloride](/api/compound/F8VHGcSNzJK.png?ph=true&h=300&w=458 "2-(benzylthio)-3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)benzo[d]thiazol-3-ium chloride")
| SpectraBase Compound ID | F8VHGcSNzJK |
|---|---|
| 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 |
| Mol Weight | 490.1 g/mol |
| Molecular Formula | C26H32ClNO2S2 |
| Exact Mass | 489.156299 g/mol |
| Parent InChIKey | INWDSNLVWNOSKN-UNWVZKJWSA-M |
| Enantiomer InChIKey | WWFQJNYXKREBGQ-JAHCWSGRSA-M |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2017.02.008 |