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3-[dimethyl(2-phenylethyl)ammonio]-1-propanesulfonate
SpectraBase Compound ID C19bzBYJMld
InChI InChI=1S/C13H21NO3S/c1-14(2,10-6-12-18(15,16)17)11-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKey KGUUJAHGOYPRDD-UHFFFAOYSA-N
Mol Weight 271.38 g/mol
Molecular Formula C13H21NO3S
Exact Mass 271.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyK4y855yEC
Name 3-[dimethyl(2-phenylethyl)ammonio]-1-propanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C13H21NO3S
InChI InChI=1S/C13H21NO3S/c1-14(2,10-6-12-18(15,16)17)11-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKey KGUUJAHGOYPRDD-UHFFFAOYSA-N
Molecular Weight 271.375 g/mol
SMILES C(S([O-])(=O)=O)CC[N+](CCc1ccccc1)(C)C
SPLASH splash10-00di-0090000000-4cff7bc575034832336e
Source of Spectrum CV-20-2433-8
Synonyms 3-[dimethyl(phenethyl)ammonio]propane-1-sulfonate 3-[dimethyl(2-phenylethyl)ammonio]propane-1-sulfonate
Wiley ID 1610466