3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate(13177-41-8) MS
Product Name3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate
CAS13177-41-8
Molecular FormulaC23H49NO3S
Molecular Weight419.71
InChIInChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3
InChIKey DIROHOMJLWMERM-UHFFFAOYSA-N
SmilesC(CCCCCCCCCCCCCCCCC)[N+](C)(C)CCCS([O-])(=O)=O
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MassMS-IW-7689 3-(dimethyl(octadecyl)ammonio)propanesulfonate C23H49NO3S (Mass of molecular ion: 419)
Source Temperature: 180 °C Sample Temperature: 200 °C Direct, 75 eV
18.0 3.2 27.0 1.4 28.0 7.1 29.0 3.2 30.0 1.8 41.0 4.9 42.0 2.4 43.0 6.5 44.0 2.8 45.0 2.4 46.0 1.8 55.0 4.5 56.0 1.6 57.0 5.8 58.0 100.0 59.0 5.5 64.0 1.1 69.0 2.4 70.0 1.3 71.0 2.3 83.0 1.7 84.0 6.7 85.0 1.3 97.0 1.3 110.0 1.3 296.0 3.7 297.0 4.8 298.0 1.0
KBr disc
nujol mull
