3-甲基吡啶(108-99-6)红外图谱(IR1)
InChI:InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N
Smiles:C1=NC=CC=C1C
-
Mass
MS-NW-5548
3-methylpyridine
C6H7N (Mass of molecular ion: 93)
Source Temperature: 240 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 2.3
27.0 3.2
28.0 3.1
31.0 1.0
37.0 4.1
38.0 8.3
39.0 30.0
40.0 14.0
41.0 3.4
50.0 3.5
51.0 5.9
52.0 3.2
53.0 2.7
54.0 2.8
61.0 2.1
62.0 3.6
63.0 7.6
64.0 3.5
65.0 26.0
66.0 39.4
67.0 11.3
78.0 3.9
91.0 1.2
92.0 30.5
93.0 100.0
94.0 7.2
parameter in DMSO-d6
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C6 H7 N
|
30 % in DMSO
|
| 3-methylpyridine
|
 |
Parameter ppm Hz
D(A) 8.57
D(B) 7.69
D(C) 7.29
D(D) 8.57
D(E) 2.29
J(A,B) 2.2
J(A,C) 1.0
J(A,D) 0.3
J(A,E) 0.0
J(B,C) 7.8
J(B,D) 2.2
J(B,E) 0.7
J(C,D) 4.4
J(C,E) 0.0
J(D,E) 0.0
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
J(A,D) LESS THAN 0.3HZ.
|
Hz ppm Int.
2574.29 8.581 136
2572.01 8.573 266
2570.03 8.567 264
2567.81 8.559 142
2312.88 7.710 44
2311.31 7.704 73
2310.78 7.703 73
2309.21 7.697 45
2305.06 7.684 52
2303.49 7.678 83
2302.96 7.677 83
2301.51 7.672 50
2193.44 7.311 82
2192.57 7.309 81
2189.07 7.297 80
2188.13 7.294 82
2185.68 7.286 75
2184.75 7.282 72
2181.25 7.271 69
2180.31 7.268 69
687.21 2.291 1000
686.80 2.289 1000
-
| 1H NMR |
89.56 MHz |
| C6 H7 N
|
0.04 ml : 0.5 ml CDCl3
|
| 3-methylpyridine
|
|
Assign. Shift(ppm)
A 8.44
B 8.42
C 7.457
D 7.161
E 2.320
|
Hz ppm Int.
754.88 8.429 236
751.31 8.389 103
750.19 8.377 104
675.06 7.538 37
674.31 7.530 43
672.81 7.513 66
672.13 7.505 54
671.31 7.496 42
670.50 7.487 37
667.31 7.451 61
666.56 7.443 74
665.00 7.426 114
664.31 7.418 92
663.50 7.409 73
662.75 7.401 60
647.19 7.227 113
646.56 7.220 115
646.25 7.216 115
642.44 7.174 102
641.56 7.164 104
639.44 7.140 68
638.50 7.130 69
634.69 7.087 66
634.06 7.080 66
633.75 7.077 68
207.75 2.320 1000
X-IRRAD. OF ADAMANTANE RECRYST. FROM 3-PICOLINE