1-硝基戊烷(628-05-7)核磁图(13CNMR)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7424
1-nitropentane
C5H11NO2 (Mass of molecular ion: 117)
Source Temperature: 220 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 1.7
27.0 21.2
28.0 3.8
29.0 27.9
30.0 5.6
31.0 2.7
38.0 1.2
39.0 14.9
40.0 2.9
41.0 52.1
42.0 19.3
43.0 100.0
44.0 3.7
45.0 7.8
46.0 1.8
51.0 1.0
53.0 2.5
54.0 1.0
55.0 19.4
56.0 3.0
57.0 1.9
59.0 2.6
60.0 1.8
62.0 9.8
67.0 1.0
69.0 12.0
70.0 6.5
71.0 19.9
72.0 1.3
88.0 3.3
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C5 H11 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitropentane
|
 |
Assign. Shift(ppm)
A 4.379
B 2.01
C 1.5 to 1.24
D 0.92
400MHZ:HSP-41-351
|
Hz ppm Int.
399.38 4.460 482
396.88 4.432 91
392.44 4.382 1000
389.13 4.345 96
385.38 4.304 537
194.50 2.172 54
193.19 2.158 53
187.31 2.092 190
186.00 2.077 163
185.19 2.068 155
180.31 2.014 290
178.06 1.989 195
176.31 1.969 169
175.25 1.957 172
173.31 1.936 223
169.00 1.888 83
168.00 1.876 77
166.25 1.857 85
163.50 1.826 38
162.00 1.809 32
161.31 1.802 30
141.25 1.578 34
140.69 1.571 36
140.06 1.564 35
139.63 1.560 36
138.94 1.552 39
138.63 1.548 42
137.63 1.537 46
136.50 1.525 63
131.69 1.471 191
128.38 1.434 489
125.13 1.398 570
124.50 1.391 570
120.94 1.351 703
119.44 1.334 450
117.38 1.311 381
114.38 1.278 279
108.75 1.215 74
108.31 1.210 75
107.13 1.197 62
106.38 1.188 68
104.38 1.166 56
103.81 1.160 53
103.38 1.155 51
103.00 1.151 51
102.38 1.144 47
101.56 1.134 47
101.00 1.128 46
100.00 1.117 42
99.06 1.107 42
98.75 1.103 42
97.94 1.094 40
96.81 1.081 50
96.50 1.078 50
95.69 1.069 52
89.06 0.995 391
87.19 0.974 332
82.69 0.924 830
79.50 0.888 272
77.44 0.865 262
77.31 0.864 262
76.88 0.859 261
73.06 0.816 98
69.31 0.774 32
-
| 1H NMR |
399.65 MHz |
| C5 H11 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitropentane
|
|
Assign. Shift(ppm)
A 4.389
B 2.015
C 1.39
D 1.36
E 0.926
|
Hz ppm Int.
1767.46 4.423 40
1761.23 4.407 511
1754.15 4.390 1000
1747.07 4.372 530
819.46 2.051 68
812.26 2.033 197
809.81 2.027 141
807.62 2.021 159
805.05 2.015 282
802.73 2.009 176
800.66 2.004 145
797.85 1.997 207
790.65 1.979 68
567.26 1.420 43
560.67 1.403 109
554.69 1.388 549
551.27 1.380 509
547.36 1.370 820
544.31 1.362 391
540.16 1.352 282
537.96 1.347 115
533.33 1.335 61
529.17 1.325 34
385.74 0.966 35
385.13 0.964 35
381.59 0.955 59
376.95 0.944 355
374.27 0.937 249
370.00 0.926 902
367.19 0.919 302
364.99 0.914 219
362.92 0.909 344
356.32 0.892 39