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N-methylquinuclidinium-(methanesulfonyl)methanesulfonate
SpectraBase Compound ID HnGR2WzetKH
InChI InChI=1S/C8H16N.C2H6O5S2/c1-9-5-2-8(3-6-9)4-7-9;1-8(3,4)2-9(5,6)7/h8H,2-7H2,1H3;2H2,1H3,(H,5,6,7)/q+1;/p-1
InChIKey ISWQRVAGRCBDOO-UHFFFAOYSA-M
Mol Weight 299.4 g/mol
Molecular Formula C10H21NO5S2
Exact Mass 299.086115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAkVrzmHGRB
Name N-methylquinuclidinium-(methanesulfonyl)methanesulfonate
CAS Registry Number 114032-32-5
Comments Less than 3 mono-isotopic peaks
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Formula C10H21NO5S2
InChI InChI=1S/C8H16N.C2H6O5S2/c1-9-5-2-8(3-6-9)4-7-9;1-8(3,4)2-9(5,6)7/h8H,2-7H2,1H3;2H2,1H3,(H,5,6,7)/q+1;/p-1
InChIKey ISWQRVAGRCBDOO-UHFFFAOYSA-M
Molecular Weight 299.400 g/mol
SMILES C1[N+]2(CCC(C1)CC2)C.C(S([O-])(=O)=O)S(=O)(=O)C
SPLASH splash10-002f-9500000000-00292b02207ef61f32f4
Source of Spectrum K-123-1688-6
Synonyms 1-methyl-1-azoniabicyclo[2.2.2]octane (methylsulfonyl)methanesulfonate
Wiley ID 1301713