3-羥基-2-硝基吡啶(15128-82-2)Raman光譜
InChI:InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
InChIKey: QBPDSKPWYWIHGA-UHFFFAOYSA-N
Smiles:C1([N+]([O-])=O)=NC=CC=C1O
-
Mass
MS-NW-6547
2-nitro-3-pyridinol
C5H4N2O3 (Mass of molecular ion: 140)
Source Temperature: 240 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 2.4
26.0 3.9
27.0 2.9
28.0 5.7
29.0 2.2
30.0 6.0
37.0 5.5
38.0 22.7
39.0 50.7
40.0 4.8
43.0 1.3
44.0 2.2
50.0 1.2
51.0 2.0
52.0 2.5
53.0 3.1
54.0 6.5
55.0 1.7
63.0 1.5
64.0 10.2
65.0 28.2
66.0 24.8
67.0 13.6
68.0 1.0
76.0 2.2
82.0 10.5
93.0 18.4
94.0 100.0
95.0 6.2
110.0 1.1
140.0 39.5
141.0 2.7
400 MHz in CDCl3
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C5 H4 N2 O3
|
0.044 g : 0.5 ml CDCl3
|
| 2-nitro-3-pyridinol
|
 |
Assign. Shift(ppm)
A 10.22
B 8.230
C 7.683
D 7.675
J(B,D)=3.5HZ
J(B,C)=2.1HZ
J(C,D)=8.4HZ
|
Hz ppm Int.
4084.32 10.220 147
3291.93 8.238 366
3289.79 8.232 406
3288.42 8.229 393
3286.29 8.223 369
3280.18 8.208 21
3279.88 8.207 21
3092.80 7.739 21
3082.43 7.713 22
3081.36 7.711 26
3079.53 7.706 66
3077.39 7.701 117
3071.14 7.685 905
3070.07 7.682 1000
3069.00 7.680 898
3066.41 7.673 731
3061.68 7.661 75
3059.69 7.656 43
3058.01 7.652 122
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| 1H NMR |
89.56 MHz |
| C5 H4 N2 O3
|
0.031 g : 0.5 ml DMSO-d6
|
| 2-nitro-3-pyridinol
|
|
Assign. Shift(ppm)
A 11.
B 8.016
C 7.66
D 7.63
C AND D WERE CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
721.19 8.053 196
718.46 8.023 326
715.38 7.988 269
691.63 7.723 27
686.07 7.661 1000
683.34 7.630 548
682.91 7.626 549
678.47 7.576 31
677.70 7.567 27
674.54 7.532 26