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3-[dimethyl(4-phenylbutyl)ammonio]-1-propanesulfonate
SpectraBase Compound ID 6NX3IXPFAcL
InChI InChI=1S/C15H25NO3S/c1-16(2,13-8-14-20(17,18)19)12-7-6-11-15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKey MPSGUZLSKRSADK-UHFFFAOYSA-N
Mol Weight 299.43 g/mol
Molecular Formula C15H25NO3S
Exact Mass 299.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy8tN9S1V2w
Name 3-[dimethyl(4-phenylbutyl)ammonio]-1-propanesulfonate
Alternate Name(s) 3-[dimethyl(4-phenylbutyl)ammonio]propane-1-sulfonate 3-[dimethyl(4-phenylbutyl)azaniumyl]propane-1-sulfonate
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Formula C15H25NO3S
InChI InChI=1S/C15H25NO3S/c1-16(2,13-8-14-20(17,18)19)12-7-6-11-15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKey MPSGUZLSKRSADK-UHFFFAOYSA-N
Molecular Weight 299.429 g/mol
SMILES C(S([O-])(=O)=O)CC[N+](CCCCc1ccccc1)(C)C
SPLASH splash10-0f6y-0590000000-ec24827013e2c6202171
Source of Spectrum CV-20-2434-10
Wiley ID 1610462