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4-[Dimethyl(2-phenylethyl)ammonio]-1-butanesulfonate
SpectraBase Compound ID 5QuNP2OS4vf
InChI InChI=1S/C14H23NO3S/c1-15(2,11-6-7-13-19(16,17)18)12-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey NSEOHNQZTWRFEE-UHFFFAOYSA-N
Mol Weight 285.4 g/mol
Molecular Formula C14H23NO3S
Exact Mass 285.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HWAI2aXWbx
Name 4-[dimethyl(2-phenylethyl)ammonio]-1-butanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C14H23NO3S
InChI InChI=1S/C14H23NO3S/c1-15(2,11-6-7-13-19(16,17)18)12-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey NSEOHNQZTWRFEE-UHFFFAOYSA-N
Molecular Weight 285.402 g/mol
SMILES C(S([O-])(=O)=O)CCC[N+](CCc1ccccc1)(C)C
SPLASH splash10-001i-0090000000-810026539340e6ab6f9b
Source of Spectrum CV-20-2438-17
Synonyms 4-[dimethyl(phenethyl)ammonio]butane-1-sulfonate 4-[dimethyl(2-phenylethyl)ammonio]butane-1-sulfonate
Wiley ID 1610450