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3-[dimethyl(3-phenylpropyl)ammonio]-1-propanesulfonate
SpectraBase Compound ID AQTDT6sjWQM
InChI InChI=1S/C14H23NO3S/c1-15(2,12-7-13-19(16,17)18)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey GMQOBMTWHPMTRI-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 2MXHa4DALOS
Name 3-[dimethyl(3-phenylpropyl)ammonio]-1-propanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C14H23NO3S
InChI InChI=1S/C14H23NO3S/c1-15(2,12-7-13-19(16,17)18)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey GMQOBMTWHPMTRI-UHFFFAOYSA-N
Molecular Weight 285.402 g/mol
SMILES C(S([O-])(=O)=O)CC[N+](CCCc1ccccc1)(C)C
SPLASH splash10-0019-0290000000-727e6ef032a60521cb07
Source of Spectrum CV-20-2434-9
Synonyms 3-[dimethyl(3-phenylpropyl)ammonio]propane-1-sulfonate 3-[dimethyl(3-phenylpropyl)azaniumyl]propane-1-sulfonate
Wiley ID 1610464