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N-Heptyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
SpectraBase Compound ID AsgqTjBSEZ4
InChI InChI=1S/C12H27NO3S/c1-4-5-6-7-8-10-13(2,3)11-9-12-17(14,15)16/h4-12H2,1-3H3
InChIKey DPMQAGDVDPFRFG-UHFFFAOYSA-N
Mol Weight 265.41 g/mol
Molecular Formula C12H27NO3S
Exact Mass 265.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K199x2EGZgR
Name N-Heptyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
Alternate Name(s) 2-[heptyl(dimethyl)ammonio]-1-propanesulfonate N-Heptyl-N,N-dimethyl-2-ammonio-1-propanesulfonate 3-[heptyl(dimethyl)ammonio]-1-propanesulfonate 3-[heptyl(dimethyl)azaniumyl]propane-1-sulfonate
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Formula C12H27NO3S
InChI InChI=1S/C12H27NO3S/c1-4-5-6-7-8-10-13(2,3)11-9-12-17(14,15)16/h4-12H2,1-3H3
InChIKey DPMQAGDVDPFRFG-UHFFFAOYSA-N
Molecular Weight 265.412 g/mol
SMILES C(S([O-])(=O)=O)CC[N+](CCCCCCC)(C)C
SPLASH splash10-0006-0900000000-29d78f2dc6eeda7805a2
Source of Spectrum CV-20-2433-4
Wiley ID 1610469