N-亞硝基吡咯烷(930-55-2)質(zhì)譜(MS)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7781
1-nitrosopyrrolidine
C4H8N2O (Mass of molecular ion: 100)
Source Temperature: 250 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
14.0 1.3
15.0 12.0
18.0 3.3
26.0 4.4
27.0 25.2
28.0 70.7
29.0 2.2
30.0 11.0
37.0 1.2
38.0 2.4
39.0 16.3
40.0 5.2
41.0 69.0
42.0 45.0
43.0 28.9
44.0 3.9
53.0 4.4
54.0 1.7
55.0 2.1
68.0 13.2
69.0 8.1
70.0 5.0
71.0 1.1
99.0 1.8
100.0 100.0
101.0 5.8
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C4 H8 N2 O
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitrosopyrrolidine
|
 |
Assign. Shift(ppm)
A 4.266
B 3.558
C 2.087
D 2.032
|
Hz ppm Int.
1716.19 4.295 59
1712.89 4.286 341
1711.91 4.284 493
1710.69 4.281 377
1709.23 4.277 189
1706.18 4.270 762
1704.96 4.267 1000
1703.61 4.263 600
1699.34 4.253 409
1698.12 4.250 623
1696.78 4.246 286
1693.97 4.239 57
1692.63 4.236 37
1429.32 3.577 611
1428.22 3.574 396
1422.61 3.560 739
1422.00 3.559 799
1417.97 3.549 185
1416.50 3.545 373
1415.16 3.541 517
1414.18 3.539 335
1413.94 3.538 335
849.24 2.125 101
847.78 2.122 125
842.77 2.109 247
841.06 2.105 463
835.69 2.092 436
834.11 2.088 731
828.98 2.075 590
827.88 2.072 601
827.15 2.070 527
825.20 2.065 360
824.10 2.063 447
823.00 2.060 445
822.02 2.057 385
821.17 2.055 270
820.07 2.052 521
819.21 2.050 502
817.87 2.047 503
815.19 2.040 163
812.99 2.035 547
812.13 2.033 600
807.25 2.020 170
805.54 2.016 425
803.10 2.010 181
798.95 2.000 137
797.00 1.995 98
-
| 1H NMR |
89.56 MHz |
| C4 H8 N2 O
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitrosopyrrolidine
|
|
Assign. Shift(ppm)
A 4.242
B 3.528
C 2.08
D 2.01
ASSIGNED BY CH-COSY
|
Hz ppm Int.
388.56 4.339 183
387.31 4.325 309
386.13 4.312 242
383.38 4.281 329
381.56 4.261 530
380.31 4.247 738
379.06 4.233 515
377.19 4.212 243
376.56 4.205 271
374.81 4.186 361
373.56 4.172 316
372.19 4.156 206
370.25 4.135 67
368.69 4.117 42
327.44 3.657 41
325.06 3.630 138
323.88 3.617 235
322.13 3.597 251
321.00 3.585 240
320.19 3.576 206
317.81 3.549 445
316.50 3.534 669
314.25 3.509 329
313.56 3.502 327
310.69 3.470 272
309.50 3.456 379
308.25 3.442 235
303.75 3.392 52
302.75 3.381 48
202.13 2.257 41
201.25 2.248 48
198.31 2.215 78
196.88 2.199 57
195.31 2.181 79
192.25 2.147 331
189.63 2.118 345
187.44 2.093 669
186.31 2.081 975
185.13 2.068 801
182.75 2.041 1000
180.00 2.010 729
179.25 2.002 921
175.75 1.963 346
172.75 1.929 309
169.94 1.898 89
169.13 1.889 80
166.88 1.864 95
163.63 1.828 42
162.81 1.818 42