6-甲基-2-吡啶甲酸(934-60-1)质谱(MS)
InChI:InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N
Smiles:C1(C(O)=O)=NC(C)=CC=C1
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Mass
MS-NW-8677
6-methyl-2-pyridinecarboxylic acid
C7H7NO2 (Mass of molecular ion: 137)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
15.0 1.2
17.0 13.4
18.0 65.9
26.0 1.9
27.0 4.1
28.0 3.4
37.0 3.4
38.0 6.6
39.0 28.8
40.0 6.2
41.0 4.9
42.0 2.6
44.0 7.0
45.0 3.2
45.5 1.5
46.0 1.4
49.0 1.1
50.0 6.1
51.0 8.8
52.0 6.5
53.0 4.3
54.0 2.0
61.0 1.4
62.0 2.4
63.0 7.8
64.0 10.3
65.0 45.9
66.0 45.2
67.0 6.1
76.0 1.2
78.0 7.2
79.0 1.1
91.0 9.7
92.0 37.6
93.0 100.0
94.0 7.3
120.0 1.2
137.0 2.8
138.0 1.1
90 MHz at 50C
400 MHz in DMSO-d6
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H7 N O2
|
0.041 g : 0.5 ml CDCl3 at 50C
|
| 6-methyl-2-pyridinecarboxylic acid
|
 |
Assign. Shift(ppm)
A 8.022
B 7.823
C 7.427
D 6.0
E 2.622
400MHZ : HSP-43-620
INCLUDES H2O.
|
Hz ppm Int.
723.94 8.084 47
715.75 7.992 90
710.38 7.932 28
709.50 7.923 30
709.00 7.917 35
707.63 7.902 146
700.06 7.817 230
692.50 7.733 108
668.38 7.463 82
660.44 7.375 60
541.25 6.044 79
234.94 2.624 1000
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| 1H NMR |
399.65 MHz |
| C7 H7 N O2
|
0.041 g : 0.5 ml DMSO-d6
|
| 6-methyl-2-pyridinecarboxylic acid
|
|
Assign. Shift(ppm)
A 7.88
B 7.86
C 7.493
E 2.550
|
Hz ppm Int.
3155.88 7.897 24
3148.19 7.878 207
3146.12 7.873 165
3142.82 7.864 435
3138.31 7.853 30
2998.66 7.504 86
2995.48 7.496 99
2994.02 7.492 74
2993.16 7.490 69
2989.87 7.482 79
1019.04 2.550 1000
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| 1H NMR |
399.65 MHz |
| C7 H7 N O2
|
0.016 g : 0.5 ml CDCl3
|
| 6-methyl-2-pyridinecarboxylic acid
|
|
Assign. Shift(ppm)
A 8.049
B 7.846
C 7.441
E 2.633
|
Hz ppm Int.
3221.31 8.061 94
3220.95 8.060 93
3220.46 8.059 91
3218.14 8.053 68
3213.75 8.042 114
3143.19 7.865 215
3135.50 7.846 414
3131.84 7.837 30
3127.81 7.827 206
2978.27 7.453 109
2974.61 7.444 66
2970.95 7.434 104
2970.58 7.433 103
1060.55 2.654 30
1052.25 2.633 1000
1042.97 2.610 46
1042.60 2.609 43