3-磺丙基十四烷基二甲基銨(14933-09-6)質(zhì)譜(MS)
分子式:C19H41NO3S
分子量: 363.6
InChI:InChI=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
Smiles:C(S([O-])(=O)=O)CC[N+](C)(C)CCCCCCCCCCCCCC
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Mass
MS2014-05060CW
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