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quinuclidinium-(bromomethylsulfonyl)methane-sulfonate
SpectraBase Compound ID 463ASMlyI9C
InChI InChI=1S/C7H13N.C2H5BrO5S2/c1-4-8-5-2-7(1)3-6-8;3-1-9(4,5)2-10(6,7)8/h7H,1-6H2;1-2H2,(H,6,7,8)
InChIKey RVIWAKDXUNFRBK-UHFFFAOYSA-N
Mol Weight 364.27 g/mol
Molecular Formula C9H18BrNO5S2
Exact Mass 362.980978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtPBCcjiPsN
Name quinuclidinium-(bromomethylsulfonyl)methane-sulfonate
Alternate Name(s) 1-Azoniabicyclo[2.2.2]octane[(bromomethyl)sulfonyl]methanesulfonate
CAS Registry Number 114032-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18BrNO5S2
InChI InChI=1S/C7H13N.C2H5BrO5S2/c1-4-8-5-2-7(1)3-6-8;3-1-9(4,5)2-10(6,7)8/h7H,1-6H2;1-2H2,(H,6,7,8)
InChIKey RVIWAKDXUNFRBK-UHFFFAOYSA-N
Molecular Weight 364.269 g/mol
SMILES [NH+]12CCC(CC2)CC1.C(S([O-])(=O)=O)S(=O)(=O)CBr
SPLASH splash10-01ox-9100000000-6f99180e10b9ad4520b3
Source of Spectrum K-121-1438-5
Wiley ID 1350089