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dimethyloctadecyl(3-sulfopropoxy)ammonium hydroxide, inner salt
SpectraBase Compound ID DRU6cYgxkrt
InChI InChI=1S/C23H49NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)28-22-20-23-29(25,26)27/h4-23H2,1-3H3
InChIKey FNOSWKQSCSOPSU-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C23H49NO4S
Exact Mass 435.33823 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 942MLzQWQt1
Name dimethyloctadecyl(3-sulfopropoxy)ammonium hydroxide, inner salt
Source of Sample W. -D. Willmund, Henkel & Cie., Duesseldorf, Germany
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Formula C23H49NO4S
InChI InChI=1S/C23H49NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)28-22-20-23-29(25,26)27/h4-23H2,1-3H3
InChIKey FNOSWKQSCSOPSU-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5228M
Solvent TFA
Synonyms AMMONIUM HYDROXIDE, DIMETHYLOCTA- DECYL/3-SULFOPROPOXY/-, INNER SALT