| SpectraBase Spectrum ID |
6SEJlpaFnsF |
| Name |
N-benzylquinuclidinium-(methanesulfonyl)methanesulfonate |
| CAS Registry Number |
126822-08-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H25NO5S2 |
| InChI |
InChI=1S/C14H20N.C2H6O5S2/c1-2-4-14(5-3-1)12-15-9-6-13(7-10-15)8-11-15;1-8(3,4)2-9(5,6)7/h1-5,13H,6-12H2;2H2,1H3,(H,5,6,7)/q+1;/p-1 |
| InChIKey |
IWLMXRHAGHVXMM-UHFFFAOYSA-M |
| Molecular Weight |
375.498 g/mol |
| SMILES |
C([N+]12CCC(CC2)CC1)c1ccccc1.C(S([O-])(=O)=O)S(=O)(=O)C |
| SPLASH |
splash10-0006-9010000000-baa85bc384a3ee973c99 |
| Source of Spectrum |
K-123-1689-6 |
| Synonyms |
1-benzyl-1-azoniabicyclo[2.2.2]octane (methylsulfonyl)methanesulfonate |
| Wiley ID |
1357090 |
