氯化十六烷基吡啶單水合物(6004-24-6)核磁圖(1HNMR)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-8281
1-hexadecylpyridinium chloride
C21H38ClN H2O (Mass of molecular ion: 339)
Source Temperature: 190 °C
Sample Temperature: 220 °C
Direct, 75 eV
17.0 1.0
18.0 4.4
26.0 3.2
27.0 6.9
28.0 3.6
29.0 17.4
36.0 3.9
38.0 1.9
39.0 6.9
40.0 1.2
41.0 38.8
42.0 10.4
43.0 79.6
44.0 2.6
49.0 1.5
50.0 6.6
51.0 10.6
52.0 26.0
53.0 4.9
54.0 3.3
55.0 41.3
56.0 16.1
57.0 100.0
58.0 4.5
63.0 1.1
67.0 4.1
68.0 3.4
69.0 33.5
70.0 13.6
71.0 58.6
72.0 3.2
77.0 1.3
78.0 4.5
79.0 38.8
80.0 7.1
81.0 2.4
82.0 4.3
83.0 21.3
84.0 8.7
85.0 34.5
86.0 2.3
91.0 45.3
92.0 2.3
93.0 15.4
94.0 1.8
95.0 1.5
96.0 2.4
97.0 15.8
98.0 6.4
99.0 8.4
104.0 2.1
105.0 15.0
106.0 2.6
107.0 5.2
111.0 6.9
112.0 4.3
113.0 4.5
119.0 6.1
120.0 1.0
121.0 2.0
125.0 2.3
126.0 2.6
127.0 2.6
133.0 4.6
135.0 1.5
140.0 1.7
141.0 1.7
147.0 3.6
149.0 1.2
155.0 1.2
161.0 2.4
175.0 1.8
189.0 1.4
203.0 1.2
260.0 2.0
304.0 11.5
305.0 4.2
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C21 H38 Cl N
|
0.045 g : 0.5 ml CDCl3
|
| 1-hexadecylpyridinium chloride
|
 |
Assign. Shift(ppm)
A 9.55
B 8.54
C 8.21
D 4.98
E 2.04
F 1.42 to 1.30
G 1.25
J 0.88
H2O INCLUDED
|
Hz ppm Int.
858.44 9.586 57
853.06 9.526 58
851.81 9.512 49
766.56 8.560 34
740.88 8.273 42
734.50 8.202 49
733.31 8.188 31
733.00 8.185 31
453.56 5.065 30
446.13 4.982 53
439.00 4.902 32
282.94 3.160 309
125.06 1.397 35
124.50 1.391 37
122.31 1.366 45
112.13 1.253 1000
83.44 0.932 37
82.13 0.918 32
81.69 0.913 30
78.44 0.876 113
-
| 1H NMR |
399.65 MHz |
| C21 H38 Cl N
|
0.038 g : 0.5 ml CDCl3
|
| 1-hexadecylpyridinium chloride
|
|
Assign. Shift(ppm)
A 9.546
B 8.546
C 8.202
D 4.981
E 3.2
F 2.038
G 1.33
J 1.25
K 1.22
L 0.875
|
Hz ppm Int.
3819.12 9.557 159
3817.90 9.554 192
3812.41 9.540 194
3811.34 9.537 164
3425.29 8.571 32
3424.07 8.568 55
3422.70 8.565 34
3416.29 8.549 122
3409.73 8.532 43
3408.51 8.529 70
3407.14 8.526 41
3285.06 8.220 130
3278.35 8.204 167
3277.44 8.201 158
3270.72 8.184 114
1998.14 5.000 112
1990.81 4.982 193
1983.34 4.963 115
1290.89 3.231 585
821.69 2.057 60
814.36 2.038 89
807.19 2.020 68
549.93 1.377 43
541.99 1.357 73
537.57 1.346 94
529.63 1.326 139
525.67 1.316 115
522.16 1.307 103
518.19 1.297 127
510.71 1.278 144
500.49 1.253 1000
488.89 1.224 831
356.75 0.893 170
350.04 0.876 526
343.02 0.859 201