1-硝基己烷(646-14-0)核磁图(1HNMR)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7413
1-nitrohexane
C6H13NO2 (Mass of molecular ion: 131)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 1.2
27.0 14.9
28.0 3.7
29.0 18.6
30.0 3.6
31.0 2.8
39.0 11.7
40.0 2.3
41.0 47.7
42.0 9.9
43.0 100.0
44.0 3.7
45.0 5.8
46.0 2.2
51.0 1.0
53.0 2.7
54.0 1.8
55.0 52.2
56.0 12.1
57.0 14.1
58.0 1.1
59.0 8.5
60.0 1.2
62.0 10.2
67.0 2.2
68.0 1.7
69.0 5.4
70.0 2.6
82.0 1.0
83.0 5.3
84.0 2.3
85.0 9.1
86.0 1.0
88.0 1.9
102.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H13 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitrohexane
|
 |
Assign. Shift(ppm)
A 4.389
B 2.003
C 1.39
D 1.34
E 1.32
F 0.900
|
Hz ppm Int.
1768.19 4.425 30
1761.23 4.407 573
1754.15 4.390 1000
1747.07 4.372 602
815.43 2.041 97
808.47 2.023 250
801.03 2.005 313
793.46 1.986 296
786.38 1.968 125
571.78 1.431 41
569.21 1.425 65
566.41 1.418 76
561.89 1.406 150
559.45 1.400 133
556.40 1.393 197
554.57 1.388 196
553.22 1.385 201
551.39 1.380 166
550.29 1.377 191
548.58 1.373 189
546.51 1.368 233
544.31 1.362 190
541.87 1.356 250
540.53 1.353 250
539.06 1.349 269
536.25 1.342 637
533.45 1.335 489
531.74 1.331 408
529.66 1.326 476
528.56 1.323 422
525.39 1.315 295
521.97 1.307 187
516.36 1.293 52
514.77 1.289 39
373.29 0.935 46
366.21 0.917 374
364.62 0.913 230
362.67 0.908 255
360.72 0.903 339
359.13 0.899 946
354.74 0.888 186
353.15 0.884 251
352.05 0.881 331
345.46 0.865 35
-
| 1H NMR |
89.56 MHz |
| C6 H13 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitrohexane
|
|
Assign. Shift(ppm)
A 4.379
B 1.99
C 1.5 to 1.24
D 0.91
400MHZ:HSP-41-326
|
Hz ppm Int.
399.44 4.461 403
392.50 4.383 846
385.50 4.305 454
186.25 2.080 149
179.38 2.003 227
176.38 1.970 140
172.50 1.927 173
167.56 1.871 61
167.13 1.867 62
166.88 1.864 62
166.44 1.859 61
165.75 1.851 62
143.19 1.599 32
142.63 1.593 33
142.31 1.589 34
142.13 1.587 34
138.00 1.541 53
137.00 1.530 53
131.13 1.465 182
121.75 1.360 1000
119.13 1.331 796
117.75 1.315 755
104.63 1.169 47
104.44 1.167 47
102.63 1.146 36
101.75 1.137 36
101.44 1.133 36
100.94 1.128 36
100.50 1.123 36
99.94 1.116 35
99.63 1.113 35
99.13 1.107 35
98.19 1.097 36
97.75 1.092 36
97.00 1.084 38
94.19 1.052 45
93.63 1.046 46
86.06 0.961 294
80.38 0.898 702
75.69 0.846 170
75.31 0.841 169
74.31 0.830 174