4-(4-氯苄基)吡啶(4409-11-4)红外图谱(IR1)
分子式:C12H10ClN
分子量: 203.67
InChI:InChI=1S/C12H10ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2
InChIKey: OHKBVLWPESSWKC-UHFFFAOYSA-N
Smiles:C1=NC=CC(CC2=CC=C(Cl)C=C2)=C1
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Mass
MS-NW-6266
4-(p-chlorobenzyl)pyridine
C12H10ClN (Mass of molecular ion: 203)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 2.6
26.0 1.2
27.0 1.4
28.0 2.6
38.0 1.5
39.0 6.6
50.0 5.2
51.0 11.4
52.0 1.8
54.0 2.7
57.5 1.2
61.0 1.0
62.0 2.7
63.0 7.5
64.0 2.2
65.0 3.2
69.0 1.5
69.5 2.3
70.0 3.0
70.5 2.5
73.0 2.0
74.0 2.7
75.0 5.7
76.0 2.0
77.0 1.4
78.0 2.9
83.5 9.0
84.0 1.8
86.0 1.2
87.0 1.7
88.0 1.0
89.0 8.5
90.0 3.0
91.0 1.0
99.0 3.4
101.0 1.7
106.0 1.0
111.0 6.3
113.0 3.0
114.0 2.1
115.0 5.5
125.0 21.1
126.0 2.6
127.0 7.3
128.0 1.2
138.0 1.1
139.0 22.2
140.0 5.8
141.0 9.0
142.0 1.1
149.0 1.9
166.0 6.7
167.0 46.6
168.0 100.0
169.0 13.7
175.0 1.0
201.0 1.2
202.0 8.5
203.0 76.7
204.0 13.0
205.0 25.7
206.0 3.6
217.0 7.3
218.0 1.2
219.0 2.5
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C12 H10 Cl N
|
0.046 g : 0.5 ml CDCl3
|
| 4-(p-chlorobenzyl)pyridine
|
 |
Assign. Shift(ppm)
A 8.500
B 7.267
C 7.09
D 7.07
E 3.926
400MHZ : HSP-41-747
|
Hz ppm Int.
764.38 8.535 439
762.75 8.517 280
759.94 8.486 290
758.38 8.468 487
656.88 7.335 373
654.56 7.309 152
650.50 7.264 232
648.19 7.238 1000
646.19 7.216 190
640.56 7.153 146
638.75 7.133 767
636.25 7.105 606
634.63 7.087 291
631.81 7.055 337
630.25 7.038 615
627.88 7.011 62
351.56 3.926 956
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| 1H NMR |
399.65 MHz |
| C12 H10 Cl N
|
0.05 ml : 0.5 ml CDCl3
|
| 4-(p-chlorobenzyl)pyridine
|
|
Assign. Shift(ppm)
A 8.487
B 7.250
C 7.08
D 7.06
E 3.894
90MHZ : HSP-02-726
|
Hz ppm Int.
3393.19 8.491 261
3392.82 8.490 261
3391.36 8.486 259
3390.26 8.484 260
2902.10 7.262 563
2893.68 7.241 688
2832.28 7.087 634
2823.73 7.066 669
2816.53 7.048 467
1556.40 3.895 1000