| SpectraBase Spectrum ID |
5ShcolML5DX |
| Name |
2-Amino-2-methyl-2-azoniabicyclo[2.2.2]oct-5-ene-(2,4,6-trimethylbenzenesulfonate) |
| CAS Registry Number |
119594-52-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H26N2O3S |
| InChI |
InChI=1S/C9H12O3S.C8H15N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-10(9)6-7-2-4-8(10)5-3-7/h4-5H,1-3H3,(H,10,11,12);2,4,7-8H,3,5-6,9H2,1H3/q;+1/p-1 |
| InChIKey |
FSFWKUKZMJBSPD-UHFFFAOYSA-M |
| Molecular Weight |
338.466 g/mol |
| SMILES |
N[N+]1(C2C=CC(C1)CC2)C.c1(S([O-])(=O)=O)c(cc(C)cc1C)C |
| SPLASH |
splash10-0a4r-9700000000-718bb541a850c8a0e528 |
| Source of Spectrum |
K-122-1156-4 |
| Wiley ID |
1333609 |
![2-Amino-2-methyl-2-azoniabicyclo[2.2.2]oct-5-ene-(2,4,6-trimethylbenzenesulfonate)](/api/spectrum/5ShcolML5DX/structure.png?h=300&w=458 "2-Amino-2-methyl-2-azoniabicyclo[2.2.2]oct-5-ene-(2,4,6-trimethylbenzenesulfonate)")
