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3-[benzyl(dimethyl)ammonio]propane-1-sulfonate
SpectraBase Compound ID 7bf7bpy8yCY
InChI InChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey MEJASPJNLSQOAG-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C12H19NO3S
Exact Mass 257.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KcdZf42BVP
Name 3-[benzyl(dimethyl)ammonio]propane-1-sulfonate
Alternate Name(s) 3-[benzyl(dimethyl)azaniumyl]propane-1-sulfonate 3-[dimethyl-(phenylmethyl)ammonio]-1-propanesulfonate 3-[dimethyl-(phenylmethyl)azaniumyl]propane-1-sulfonate
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Formula C12H19NO3S
InChI InChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey MEJASPJNLSQOAG-UHFFFAOYSA-N
Molecular Weight 257.348 g/mol
SMILES C(S([O-])(=O)=O)CC[N+](Cc1ccccc1)(C)C
SPLASH splash10-053r-0900000000-fec71752861439610859
Source of Spectrum CV-20-2433-7
Wiley ID 1610467