6-溴己腈(6621-59-6)核磁圖(1HNMR)
InChI:InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey: PHOSWLARCIBBJZ-UHFFFAOYSA-N
Smiles:C(#N)CCCCCBr
-
Mass
MS-NW-6007
6-bromohexanenitrile
C6H10BrN (Mass of molecular ion: 175)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 2.0
26.0 4.7
27.0 28.4
28.0 7.5
29.0 18.8
30.0 1.5
37.0 1.4
38.0 2.9
39.0 21.0
40.0 5.0
41.0 71.5
42.0 24.5
43.0 6.1
50.0 1.2
51.0 2.2
52.0 2.4
53.0 6.7
54.0 48.0
55.0 100.0
56.0 5.5
65.0 1.1
66.0 2.1
67.0 5.7
68.0 11.1
69.0 37.8
70.0 2.3
79.0 2.6
80.0 1.1
81.0 1.2
82.0 6.0
93.0 1.5
94.0 1.3
95.0 2.8
96.0 98.6
97.0 7.2
107.0 5.5
109.0 5.3
135.0 1.3
137.0 1.2
147.0 1.1
149.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C6 H10 Br N
|
0.05 ml : 0.5 ml CDCl3
|
| 6-bromohexanenitrile
|
 |
Assign. Shift(ppm)
A 3.418
B 2.372
C 1.89
D 1.80 to 1.54
400MHZ : HSP-41-307
|
Hz ppm Int.
313.31 3.499 371
306.94 3.428 1000
300.56 3.356 591
223.31 2.494 34
222.94 2.490 34
220.00 2.457 189
219.00 2.446 155
213.31 2.382 707
209.50 2.340 201
207.06 2.312 380
202.69 2.264 64
198.19 2.213 30
186.44 2.082 34
186.00 2.077 32
184.13 2.056 77
182.63 2.040 56
177.31 1.980 223
170.63 1.906 312
164.75 1.840 300
161.56 1.804 226
159.75 1.784 224
157.63 1.761 288
155.81 1.740 281
150.94 1.686 835
147.38 1.646 633
144.56 1.615 513
143.06 1.598 306
141.06 1.576 285
138.19 1.543 154
135.63 1.515 104
132.88 1.484 76
131.00 1.463 53
129.44 1.446 54
-
| 1H NMR |
399.65 MHz |
| C6 H10 Br N
|
0.05 ml : 0.5 ml CDCl3
|
| 6-bromohexanenitrile
|
|
Assign. Shift(ppm)
A 3.434
B 2.388
C 1.902
D 1.694
E 1.607
90MHZ : HSP-05-178
|
Hz ppm Int.
1379.03 3.451 595
1372.31 3.434 1000
1367.92 3.423 50
1365.72 3.418 611
961.67 2.407 477
954.83 2.390 910
947.75 2.372 597
774.78 1.939 136
768.07 1.922 298
765.63 1.916 108
760.50 1.903 332
756.71 1.894 109
753.30 1.885 346
746.58 1.869 148
693.97 1.737 77
692.63 1.734 77
690.19 1.727 33
687.13 1.720 189
685.42 1.716 205
682.86 1.709 93
682.01 1.707 89
680.18 1.702 217
678.34 1.698 315
675.78 1.691 154
675.05 1.690 147
673.10 1.685 125
671.39 1.680 346
667.85 1.672 99
666.99 1.669 81
664.55 1.663 155
662.96 1.659 112
660.03 1.652 44
656.25 1.643 105
654.79 1.639 156
651.37 1.630 160
649.66 1.626 126
647.83 1.621 228
646.85 1.619 248
644.78 1.614 190
640.87 1.604 341
638.55 1.598 215
636.11 1.592 160
633.54 1.586 133
631.59 1.581 199
626.34 1.568 62
624.51 1.563 67