| SpectraBase Spectrum ID |
FwCp4SPIMHw |
| Name |
1-Methyl-3-(2-oxo-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)-1H-benzo[d]imidazol-3-ium 2-bromoethane-1-sulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H31BrN2O5S |
| InChI |
InChI=1S/C20H27N2O2.C2H5BrO3S/c1-19(2)14-9-10-20(19,3)17(11-14)24-18(23)12-22-13-21(4)15-7-5-6-8-16(15)22;3-1-2-7(4,5)6/h5-8,13-14,17H,9-12H2,1-4H3;1-2H2,(H,4,5,6)/q+1;/p-1/t14-,17+,20+;/m1./s1 |
| InChIKey |
WECFYHOJJQYFBF-CMZIBZKZSA-M |
| Literature Reference DOI |
10.1016/j.tetasy.2016.04.004 |
| Molecular Weight |
515.463 g/mol |
| SMILES |
c12c(cccc2)[n](c[n+]1CC(O[C@]1(C[C@]2(CC[C@@]1(C2(C)C)C)[H])[H])=O)C.C(S([O-])(=O)=O)CBr |
| SPLASH |
splash10-001i-8900000000-fa5c641b7e3e508dfc14 |
| Source of Spectrum |
Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2016.04.004 |
| Wiley ID |
1816050 |
![1-Methyl-3-(2-oxo-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)-1H-benzo[d]imidazol-3-ium 2-bromoethane-1-sulfonate](/api/spectrum/FwCp4SPIMHw/structure.png?h=300&w=458 "1-Methyl-3-(2-oxo-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)-1H-benzo[d]imidazol-3-ium 2-bromoethane-1-sulfonate")
