4-氨甲基哌啶(7144-05-0)Raman光譜
InChI:InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
InChIKey: LTEKQAPRXFBRNN-UHFFFAOYSA-N
Smiles:N1CCC(CN)CC1
-
Mass
MS-NW-1036
4-(aminomethyl)piperidine
C6H14N2 (Mass of molecular ion: 114)
Source Temperature: 250 °C
Sample Temperature: 130 °C
Reservoir, 75 eV
15.0 2.3
17.0 1.3
18.0 6.4
26.0 1.2
27.0 9.4
28.0 21.5
29.0 14.0
30.0 84.3
31.0 2.3
39.0 7.9
40.0 1.5
41.0 15.3
42.0 24.3
43.0 21.0
44.0 10.0
51.0 1.3
52.0 1.4
53.0 4.5
54.0 7.2
55.0 37.9
56.0 100.0
57.0 41.6
58.0 13.9
67.0 7.7
68.0 11.7
69.0 31.4
70.0 10.6
71.0 3.1
79.0 1.5
80.0 3.5
81.0 2.9
82.0 17.4
83.0 2.5
84.0 38.8
85.0 28.9
86.0 12.5
94.0 1.4
96.0 17.7
97.0 14.4
98.0 2.1
114.0 28.3
115.0 2.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H14 N2
|
0.05 ml : 0.5 ml CDCl3
|
| 4-(aminomethyl)piperidine
|
 |
Assign. Shift(ppm)
A 3.079
B 2.585
C 2.556
D 1.707
E 1.41
F 1.36
G 1.088
J(A,B)=-11.7HZ
J(A,G)=4.2HZ
J(B,D)=2.7HZ
J(B,G)=12.2HZ
J(C,E)=6.6HZ
J(E,G)=J(D,G)=12.2HZ
|
Hz ppm Int.
1240.60 3.105 159
1239.75 3.103 164
1236.57 3.095 263
1235.47 3.092 173
1233.40 3.087 176
1228.03 3.073 192
1227.42 3.072 190
1224.85 3.065 289
1221.92 3.058 181
1220.95 3.056 181
1047.49 2.622 262
1044.80 2.615 259
1041.50 2.607 37
1035.28 2.591 437
1032.59 2.584 429
1024.90 2.565 1000
1023.32 2.561 332
1020.51 2.554 295
1018.31 2.549 984
690.80 1.729 180
689.21 1.725 210
688.23 1.723 200
687.13 1.720 199
683.35 1.710 84
681.40 1.705 88
678.59 1.698 182
677.49 1.696 216
676.64 1.694 224
675.54 1.691 226
673.95 1.687 207
578.49 1.448 39
575.56 1.441 48
571.90 1.432 79
570.68 1.428 65
568.12 1.422 69
566.89 1.419 99
564.09 1.412 112
560.30 1.402 171
556.64 1.393 140
555.30 1.390 137
553.71 1.386 170
545.41 1.365 581
454.22 1.137 122
450.07 1.127 118
442.02 1.107 234
437.87 1.096 242
429.44 1.075 215
426.15 1.067 183
425.17 1.064 204
417.36 1.045 88
413.33 1.035 86
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| 1H NMR |
89.56 MHz |
| C6 H14 N2
|
0.04 ml : 0.5 ml CDCl3
|
| 4-(aminomethyl)piperidine
|
|
Assign. Shift(ppm)
A 3.08
B 2.60
C 2.564
D 1.70
E 1.41
F 1.4
G 1.13
|
Hz ppm Int.
282.44 3.154 72
273.94 3.059 75
273.44 3.054 69
273.06 3.049 68
272.56 3.044 71
271.00 3.026 102
270.00 3.015 104
268.25 2.996 79
267.25 2.985 63
244.44 2.730 86
242.06 2.703 73
232.13 2.592 460
226.38 2.528 347
220.88 2.467 68
160.13 1.788 62
159.81 1.785 64
159.00 1.776 59
158.38 1.769 61
150.75 1.684 65
149.56 1.670 58
148.25 1.656 72
147.06 1.643 84
146.63 1.638 81
145.50 1.625 69
144.81 1.617 61
126.00 1.407 1000
122.88 1.373 71
114.00 1.273 72
113.63 1.269 72
112.88 1.261 60
110.06 1.229 65
102.75 1.148 82
98.56 1.101 76