6-羥基煙酸(5006-66-6)紅外圖譜(IR1)
InChI:InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKey: BLHCMGRVFXRYRN-UHFFFAOYSA-N
Smiles:C1NC(=O)C=CC=1C(O)=O
-
Mass
MS-NW-6546
6-hydroxynicotinic acid
C6H5NO3 (Mass of molecular ion: 139)
Source Temperature: 190 °C
Sample Temperature: 170 °C
Direct, 75 eV
17.0 3.1
18.0 12.0
25.0 1.1
26.0 2.9
27.0 3.6
28.0 19.9
29.0 3.6
32.5 1.6
36.0 1.8
37.0 12.0
38.0 22.3
39.0 41.6
40.0 9.0
41.0 8.1
42.0 3.5
44.0 1.9
45.0 6.2
47.0 1.3
49.0 2.2
50.0 7.3
51.0 5.4
52.0 3.9
53.0 4.6
54.0 9.1
55.0 6.4
56.0 1.1
63.0 1.9
64.0 4.3
65.0 6.8
66.0 21.4
67.0 36.6
68.0 3.4
69.0 2.1
79.0 1.2
82.0 2.3
83.0 4.1
84.0 2.4
93.0 12.2
94.0 57.8
95.0 18.6
96.0 1.2
111.0 34.0
112.0 2.1
121.0 2.4
122.0 12.6
123.0 1.0
139.0 100.0
140.0 7.1
400 MHz in DMSO-d6
parameter in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C6 H5 N O3
|
0.041 g : 0.5 ml DMSO-d6
|
| 6-hydroxynicotinic acid
|
 |
Assign. Shift(ppm)
A 12.4
B 8.037
C 7.822
D 6.392
|
Hz ppm Int.
4966.56 12.428 101
3213.47 8.041 925
3210.91 8.035 973
3132.51 7.839 630
3129.77 7.832 574
3122.81 7.814 653
3120.24 7.808 619
2559.94 6.406 1000
2555.17 6.394 36
2550.41 6.382 968
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| 1H NMR |
300 MHz |
| C6 H5 N O3
|
30 % in DMSO
|
| 6-hydroxynicotinic acid
|
|
Parameter ppm Hz
D(A) 8.20
D(B) 7.98
D(C) 6.53
J(A,B) 2.6
J(A,C) 0.3
J(B,C) 9.7
D(D) 11.5
D(E) 11.5
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
J(A,C):LESS THAN 0.3HZ. H(D) AND H(E) ARE BROAD PEAKS.
|
Hz ppm Int.
3449.99 11.500 1000
2461.35 8.204 227
2458.75 8.196 244
2400.18 8.001 132
2397.63 7.992 123
2390.47 7.968 138
2387.92 7.960 128
1963.85 6.546 238
1954.14 6.514 228