3-(N,N-Dimethylmyristylammonio)propanesulfonate(14933-09-6) IR2
Product Name3-(N,N-Dimethylmyristylammonio)propanesulfonate
CAS14933-09-6
Molecular FormulaC19H41NO3S
Molecular Weight363.6
InChIInChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3
InChIKey BHATUINFZWUDIX-UHFFFAOYSA-N
SmilesC(S([O-])(=O)=O)CC[N+](C)(C)CCCCCCCCCCCCCC
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MassMS2014-05060CW 3-dimethyl(tetradecyl)ammonio-1-propanesulfonate C19H41NO3S (Mass of molecular ion: 363)
Source Temperature: 250 °C Sample Temperature: 300 °C Direct, 70 eV
27.0 1.2 28.0 4.5 29.0 2.5 30.0 1.1 41.0 3.9 42.0 2.1 43.0 3.5 44.0 1.8 45.0 1.2 55.0 2.6 57.0 2.1 58.0 100.0 59.0 3.6 69.0 1.0 84.0 1.8 180.0 2.4 240.0 2.1 241.0 2.7
400 MHz in D2O
400 MHz in DMSO-d6 at 50.C
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1H NMR 399.65 MHz C19 H41 N O3 S 0.031 g : 0.5 ml D2O 3-dimethyl(tetradecyl)ammonio-1-propanesulfonate 
Assign. Shift(ppm)
A 3.48 B 3.31 C 3.115 D 2.925 E 2.19 F 1.75 G 1.36 J 1.29 K 0.868
Hz ppm Int.1398.80 3.501 76 1393.92 3.488 72 1393.68 3.488 72 1390.50 3.480 78 1381.84 3.458 73 1326.17 3.319 71 1325.44 3.317 71 1324.46 3.315 72 1323.97 3.313 73 1323.73 3.313 73 1323.24 3.311 72 1322.51 3.310 71 1244.87 3.115 1000 1176.15 2.943 107 1169.19 2.926 214 1162.23 2.909 107 876.22 2.193 71 699.46 1.751 62 544.92 1.364 240 515.14 1.289 865 347.05 0.869 319
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1H NMR 399.65 MHz C19 H41 N O3 S 0.036 g : 0.5 ml DMSO-d6 at 50 C 3-dimethyl(tetradecyl)ammonio-1-propanesulfonate Assign. Shift(ppm)
A 3.406 B 3.227 C 2.987 D 2.47 E 1.98 F 1.66 G 1.29 J 1.25 K 0.857 SIGNAL D OVERLAPPED BY SOLVENT PEAKS
Hz ppm Int.1193.97 2.988 862 1003.66 2.512 41 1000.24 2.503 250 998.41 2.499 470 996.58 2.494 635 994.63 2.489 448 992.80 2.485 280 989.01 2.475 37 988.53 2.474 37 985.47 2.466 198 978.64 2.449 94 663.33 1.660 40 500.00 1.252 1000 488.89 1.224 72 488.40 1.223 72 481.81 1.206 32 481.20 1.205 31 480.83 1.204 30 349.49 0.875 83 345.70 0.866 55 342.77 0.858 288 335.69 0.840 103
D2O
in DMSO-d6
KBr disc
nujol mull
