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quinuclidinium-1-(ethanesulfonyl)ethanesulfonate
SpectraBase Compound ID FqlvIUJ82lM
InChI InChI=1S/C7H13N.C4H10O5S2/c1-4-8-5-2-7(1)3-6-8;1-3-10(5,6)4(2)11(7,8)9/h7H,1-6H2;4H,3H2,1-2H3,(H,7,8,9)
InChIKey LIEMDPXHJDSNAS-UHFFFAOYSA-N
Mol Weight 313.43 g/mol
Molecular Formula C11H23NO5S2
Exact Mass 313.101765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEx2iTfprMD
Name quinuclidinium-1-(ethanesulfonyl)ethanesulfonate
Alternate Name(s) 1-Azoniabicyclo[2.2.2]octane 1-(ethylsulfonyl)ethanesulfonate
CAS Registry Number 126821-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H23NO5S2
InChI InChI=1S/C7H13N.C4H10O5S2/c1-4-8-5-2-7(1)3-6-8;1-3-10(5,6)4(2)11(7,8)9/h7H,1-6H2;4H,3H2,1-2H3,(H,7,8,9)
InChIKey LIEMDPXHJDSNAS-UHFFFAOYSA-N
Molecular Weight 313.427 g/mol
SMILES [NH+]12CCC(CC2)CC1.C(S([O-])(=O)=O)(S(=O)(=O)CC)C
SPLASH splash10-0006-9300000000-e1cf89287a87be67c5c3
Source of Spectrum K-123-1689-11
Wiley ID 1314030