3-羥基-6-甲基吡啶(1121-78-4)紅外圖譜(IR2)
InChI:InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
InChIKey: DHLUJPLHLZJUBW-UHFFFAOYSA-N
Smiles:C1=NC(C)=CC=C1O
-
Mass
MS-NW-6534
6-methyl-3-pyridinol
C6H7NO (Mass of molecular ion: 109)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 2.1
26.0 2.8
27.0 9.5
28.0 3.6
29.0 1.8
37.0 1.5
38.0 2.8
39.0 10.3
40.0 1.9
41.0 2.5
42.0 4.1
43.0 1.0
49.0 1.2
50.0 4.8
51.0 6.2
52.0 5.7
53.0 13.8
54.0 9.6
54.5 1.8
55.0 5.0
57.0 1.3
63.0 1.2
64.0 1.7
65.0 1.0
66.0 1.2
67.0 1.1
68.0 2.0
70.0 1.0
80.0 36.4
81.0 11.8
82.0 4.6
91.0 1.1
94.0 2.6
108.0 14.3
109.0 100.0
110.0 7.5
400 MHz in DMSO-d6
parameter in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C6 H7 N O
|
0.028 g : 0.5 ml DMSO-d6
|
| 6-methyl-3-pyridinol
|
 |
Assign. Shift(ppm)
A 9.64
B 8.017
C 7.065
D 7.051
E 2.348
|
Hz ppm Int.
3853.76 9.643 93
3205.87 8.022 110
3205.11 8.020 117
3203.43 8.016 128
3202.51 8.014 121
2832.34 7.088 35
2829.90 7.081 28
2824.10 7.067 177
2821.50 7.060 218
2819.98 7.057 198
2819.21 7.055 209
2811.58 7.036 38
2810.97 7.034 34
938.57 2.349 1000
-
| 1H NMR |
300 MHz |
| C6 H7 N O
|
30 % in DMSO
|
| 6-methyl-3-pyridinol
|
|
Parameter ppm Hz
D(A) 8.23
D(B) 7.28
D(C) 7.15
J(A,B) 2.3
J(A,C) 0.6
J(B,C) 8.7
D(D) 8.8
D(E) 2.50
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
H(D):BROAD.
|
Hz ppm Int.
2640.01 8.800 333
2470.00 8.233 128
2468.09 8.227 130
2189.94 7.300 70
2187.73 7.292 68
2181.29 7.271 107
2179.02 7.263 106
2149.07 7.164 146
2148.73 7.162 146
2140.37 7.135 94
2140.02 7.133 94
750.03 2.500 1000