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4-[heptyl(dimethyl)ammonio]-1-butanesulfonate
SpectraBase Compound ID CrGFAII4VYw
InChI InChI=1S/C13H29NO3S/c1-4-5-6-7-8-11-14(2,3)12-9-10-13-18(15,16)17/h4-13H2,1-3H3
InChIKey LQWJJJBHPZMDHG-UHFFFAOYSA-N
Mol Weight 279.44 g/mol
Molecular Formula C13H29NO3S
Exact Mass 279.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fnPr5MXVZh
Name 4-[heptyl(dimethyl)ammonio]-1-butanesulfonate
Alternate Name(s) 4-[heptyl(dimethyl)ammonio]butane-1-sulfonate 4-[heptyl(dimethyl)azaniumyl]butane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H29NO3S
InChI InChI=1S/C13H29NO3S/c1-4-5-6-7-8-11-14(2,3)12-9-10-13-18(15,16)17/h4-13H2,1-3H3
InChIKey LQWJJJBHPZMDHG-UHFFFAOYSA-N
Molecular Weight 279.439 g/mol
SMILES C(S([O-])(=O)=O)CCC[N+](CCCCCCC)(C)C
SPLASH splash10-0006-0900000000-5d1204f7aede014f2823
Source of Spectrum CV-20-2436-14
Wiley ID 1610452