2-氯-3-硝基吡啶(5470-18-8)核磁圖(13CNMR)
分子式:C5H3ClN2O2
分子量: 158.54
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7243
2-chloro-3-nitropyridine
C5H3ClN2O2 (Mass of molecular ion: 158)
Source Temperature: 200 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 3.8
27.0 1.0
28.0 3.0
30.0 7.5
36.0 1.1
37.0 3.1
38.0 4.8
39.0 4.6
46.0 1.2
47.0 1.3
49.0 4.0
50.0 20.2
51.0 18.3
52.0 3.8
61.0 3.4
62.0 5.7
63.0 1.8
64.0 2.3
75.0 4.1
76.0 57.9
77.0 5.2
84.0 3.5
85.0 20.6
86.0 3.4
87.0 6.9
100.0 9.1
102.0 3.0
112.0 100.0
113.0 6.2
114.0 32.7
115.0 2.0
158.0 48.7
159.0 3.6
160.0 16.0
161.0 1.2
90 MHz in CDCl3
parameter in acetone
-
| 1H NMR |
89.56 MHz |
| C5 H3 Cl N2 O2
|
0.042 g : 0.5 ml CDCl3
|
| 2-chloro-3-nitropyridine
|
 |
Assign. Shift(ppm)
A 8.644
B 8.251
C 7.507
J(A,B)=1.8HZ
J(A,C)=4.7HZ
J(B,C)=8.0HZ
|
Hz ppm Int.
777.56 8.683 455
775.81 8.663 508
772.88 8.630 509
771.13 8.611 536
744.31 8.311 570
742.56 8.292 533
736.31 8.222 714
734.50 8.202 651
678.25 7.574 1000
676.38 7.553 64
675.75 7.546 64
673.56 7.521 949
670.25 7.484 828
668.38 7.463 60
667.19 7.450 64
665.50 7.431 754
-
| 1H NMR |
300 MHz |
| C5 H3 Cl N2 O2
|
ca 7 wt% in acetone
|
| 2-chloro-3-nitropyridine
|
|
Parameter ppm Hz
D(A) 8.702
D(B) 7.733
D(C) 8.473
J(A,B) 4.75
J(A,C) 1.73
J(B,C) 7.97
GERIG,J.T. & REINHEIMER,J.D. ORG.MAGN.RESON. 1, 239 (1969)
|
Hz ppm Int.
2613.87 8.713 911
2612.15 8.707 963
2609.12 8.697 951
2607.40 8.691 984
2546.81 8.489 928
2545.09 8.484 890
2538.84 8.463 1000
2537.12 8.457 952
2326.17 7.754 954
2321.42 7.738 934
2318.21 7.727 899
2313.46 7.712 860