| SpectraBase Spectrum ID |
nFscaZDzvf |
| Name |
3-(2-(((1R,2S)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-1H-benzo[d]imidazol-3-ium 2-bromoethane-1-sulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H33BrN2O5S |
| InChI |
InChI=1S/C20H29N2O2.C2H5BrO3S/c1-14(2)16-10-9-15(3)11-19(16)24-20(23)12-22-13-21(4)17-7-5-6-8-18(17)22;3-1-2-7(4,5)6/h5-8,13-16,19H,9-12H2,1-4H3;1-2H2,(H,4,5,6)/q+1;/p-1/t15?,16-,19+;/m0./s1 |
| InChIKey |
NTIOVCQUJUICGV-ADPBQSIRSA-M |
| Literature Reference DOI |
10.1016/j.tetasy.2016.04.004 |
| Molecular Weight |
517.479 g/mol |
| SMILES |
c12c(cccc2)[n](c[n+]1CC(O[C@@]1(CC(CC[C@]1(C(C)C)[H])C)[H])=O)C.C(S([O-])(=O)=O)CBr |
| SPLASH |
splash10-001i-6900000000-4f0ecb7cf49393c2c99a |
| Source of Spectrum |
Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2016.04.004 |
| Wiley ID |
1816046 |
![3-(2-(((1R,2S)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-1H-benzo[d]imidazol-3-ium 2-bromoethane-1-sulfonate](/api/spectrum/nFscaZDzvf/structure.png?h=300&w=458 "3-(2-(((1R,2S)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-1H-benzo[d]imidazol-3-ium 2-bromoethane-1-sulfonate")
