4-甲基吡啶(108-89-4)红外图谱(IR2)
InChI:InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N
Smiles:C1=NC=CC(C)=C1
-
Mass
MS-NW-0779
4-methylpyridine
C6H7N (Mass of molecular ion: 93)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
26.0 2.4
27.0 2.9
28.0 3.8
37.0 2.8
38.0 5.3
39.0 19.3
40.0 9.8
41.0 3.0
50.0 4.4
51.0 7.8
52.0 4.2
53.0 5.6
54.0 7.7
61.0 1.2
62.0 2.2
63.0 5.0
64.0 2.7
65.0 19.4
66.0 36.2
67.0 8.9
78.0 3.8
92.0 23.1
93.0 100.0
94.0 7.2
parameter in DMSO-d6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C6 H7 N
|
30 % in DMSO
|
| 4-methylpyridine
|
 |
Parameter ppm Hz
D(A) 8.60
D(B) 7.28
D(C) 2.32
J(A,A') 0.4
J(A,B) 5.2
J(A,B') 0.8
J(A,C) 0.0
J(A',B) 0.8
J(A',B') 5.2
J(A',C) 0.0
J(B,B') 1.7
J(B,C) 0.7
J(B',C) 0.7
BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
66, 159 (1962)
|
Hz ppm Int.
2583.01 8.610 970
2581.61 8.605 596
2578.51 8.595 599
2577.05 8.590 1000
2187.22 7.291 737
2186.75 7.289 751
2181.27 7.271 730
2180.80 7.269 716
696.04 2.320 987
-
| 1H NMR |
399.65 MHz |
| C6 H7 N
|
0.018 g : 0.5 ml CDCl3
|
| 4-methylpyridine
|
|
Assign. Shift(ppm)
A 8.463
B 7.104
C 2.349
|
Hz ppm Int.
3385.50 8.472 233
3383.91 8.468 161
3380.98 8.460 162
3379.39 8.456 250
2842.77 7.114 217
2842.04 7.112 237
2841.19 7.110 186
2840.45 7.108 148
2838.38 7.103 150
2837.65 7.101 193
2836.79 7.099 248
2836.06 7.097 224
938.60 2.349 1000
-
| 1H NMR |
89.56 MHz |
| C6 H7 N
|
0.018 g : 0.5 ml CDCl3
|
| 4-methylpyridine
|
|
Assign. Shift(ppm)
A 8.454
B 7.094
C 2.343
|
Hz ppm Int.
760.31 8.490 209
758.75 8.472 138
756.00 8.442 138
754.31 8.423 237
638.63 7.131 195
637.94 7.124 222
637.06 7.114 162
636.38 7.106 127
634.94 7.090 60
634.31 7.083 115
633.50 7.074 149
632.69 7.065 203
632.00 7.057 191
209.81 2.343 1000
X-IRRAD. OF ADAMANTANE RECRYST. FROM 4-PICOLINE
ANION RADICAL, ELECTROLYSIS IN LIQ. NH3