N,N'-二正丁基-1,6-己二胺(4835-11-4)核磁圖(1HNMR)
InChI:InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3
InChIKey: VZRUGPJUVWRHKM-UHFFFAOYSA-N
Smiles:C(NCCCC)CCCCCNCCCC
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Mass
MS-NW-3935
N,N'-dibutyl-1,6-hexanediamine
C14H32N2 (Mass of molecular ion: 228)
Source Temperature: 280 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.4
27.0 3.6
28.0 4.6
29.0 12.8
30.0 32.0
39.0 2.5
41.0 15.8
42.0 5.8
43.0 5.7
44.0 25.7
45.0 1.0
53.0 1.0
55.0 10.7
56.0 7.6
57.0 8.6
58.0 2.8
68.0 1.3
69.0 1.7
70.0 5.7
71.0 9.4
72.0 8.6
73.0 5.9
74.0 2.7
81.0 3.9
82.0 1.4
83.0 1.2
84.0 5.2
86.0 100.0
87.0 6.2
96.0 1.0
98.0 15.6
99.0 2.4
100.0 22.8
101.0 2.0
110.0 3.8
112.0 42.9
113.0 3.8
114.0 8.6
126.0 2.4
128.0 2.4
140.0 1.3
142.0 15.1
143.0 6.3
154.0 19.9
155.0 3.2
156.0 10.6
157.0 2.8
171.0 5.1
185.0 16.3
186.0 2.3
228.0 1.9
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C14 H32 N2
|
0.04 ml : 0.5 ml CDCl3
|
| N,N'-dibutyl-1,6-hexanediamine
|
 |
Assign. Shift(ppm)
A 2.59
B 1.66
C 1.49
D 1.47
E 1.35
F 1.33
G 0.915
|
Hz ppm Int.
239.06 2.670 359
232.19 2.593 903
225.31 2.516 590
148.50 1.659 34
147.56 1.648 42
146.94 1.641 43
145.00 1.620 76
144.56 1.615 75
139.31 1.556 199
137.13 1.532 231
131.50 1.469 491
128.44 1.435 607
127.25 1.421 684
123.81 1.383 997
115.00 1.285 233
109.69 1.225 145
109.13 1.219 144
104.81 1.171 43
103.31 1.154 61
102.06 1.140 64
96.88 1.082 37
91.81 1.026 510
89.25 0.997 372
88.31 0.987 495
84.38 0.943 202
81.94 0.915 1000
79.19 0.885 263
77.94 0.871 226
75.88 0.848 158
74.50 0.832 191
72.63 0.811 102
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| 1H NMR |
399.65 MHz |
| C14 H32 N2
|
0.04 ml : 0.5 ml CDCl3
|
| N,N'-dibutyl-1,6-hexanediamine
|
|
Assign. Shift(ppm)
A 2.590
B *1 1.49
C *1 1.47
D 1.34
E 1.01
F 0.916
|
Hz ppm Int.
1053.10 2.636 34
1042.36 2.609 446
1035.16 2.591 621
1027.83 2.572 484
601.81 1.506 169
601.20 1.505 167
595.09 1.490 293
591.92 1.482 197
587.77 1.471 276
586.55 1.468 294
579.35 1.450 219
577.27 1.445 131
572.27 1.432 110
553.96 1.387 81
546.88 1.369 208
538.94 1.349 327
533.57 1.336 360
531.37 1.330 353
526.25 1.317 159
524.29 1.312 183
517.33 1.295 60
373.17 0.934 575
365.72 0.916 1000
358.52 0.898 509