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N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
SpectraBase Compound ID C44TjwKKYU
InChI InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
InChIKey QZRAABPTWGFNIU-UHFFFAOYSA-N
Mol Weight 279.44 g/mol
Molecular Formula C13H29NO3S
Exact Mass 279.186815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 100ToZnQXMI
Name 3-(N,N-Dimethyloctylammonio)propanesulfonate inner salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 388815
CAS Registry Number 15178-76-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H29NO3S
InChI InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
InChIKey QZRAABPTWGFNIU-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Octyl sulfobetaine, SB3-8
Wiley ID SIAL_1HNMR_008402