| SpectraBase Spectrum ID |
CSL8R9QPNcS |
| Name |
N-methylquinuclidinium-1-(ethanesulfonyl)ethanesulfonate |
| Alternate Name(s) |
1-methyl-1-azoniabicyclo[2.2.2]octane 1-(ethylsulfonyl)ethanesulfonate |
| CAS Registry Number |
126822-02-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H25NO5S2 |
| InChI |
InChI=1S/C8H16N.C4H10O5S2/c1-9-5-2-8(3-6-9)4-7-9;1-3-10(5,6)4(2)11(7,8)9/h8H,2-7H2,1H3;4H,3H2,1-2H3,(H,7,8,9)/q+1;/p-1 |
| InChIKey |
VIHXTLNFBGZXBC-UHFFFAOYSA-M |
| Molecular Weight |
327.454 g/mol |
| SMILES |
C1[N+]2(CCC(C1)CC2)C.C(S([O-])(=O)=O)(S(=O)(=O)CC)C |
| SPLASH |
splash10-002f-9500000000-877cd5d34fef105e56bf |
| Source of Spectrum |
K-123-1690-11 |
| Wiley ID |
1325345 |
