1-甲基哌啶-3-甲醇(7583-53-1)核磁图(1HNMR)
InChI:InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChIKey: UGXQXVDTGJCQHR-UHFFFAOYSA-N
Smiles:N1(C)CCCC(CO)C1
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Mass
MS-NW-5470
1-methyl-3-piperidinemethanol
C7H15NO (Mass of molecular ion: 129)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 8.3
17.0 1.2
18.0 5.1
26.0 1.3
27.0 10.0
28.0 8.9
29.0 7.3
30.0 5.8
31.0 7.9
32.0 1.0
38.0 1.0
39.0 11.3
40.0 2.3
41.0 23.9
42.0 53.9
43.0 97.0
44.0 69.4
45.0 3.9
51.0 1.4
52.0 1.3
53.0 4.0
54.0 3.1
55.0 8.4
56.0 5.1
57.0 24.9
58.0 92.2
59.0 4.3
65.0 1.6
66.0 1.1
67.0 3.8
68.0 5.6
69.0 4.1
70.0 27.8
71.0 23.8
72.0 3.7
79.0 1.1
80.0 2.3
81.0 2.2
82.0 7.3
83.0 2.3
84.0 20.0
85.0 3.2
86.0 10.0
87.0 1.0
93.0 1.5
94.0 4.0
95.0 1.6
96.0 15.4
97.0 6.5
98.0 28.4
99.0 10.3
100.0 10.0
101.0 1.6
108.0 2.5
109.0 1.6
110.0 10.1
111.0 7.1
112.0 20.2
113.0 2.1
114.0 4.6
126.0 1.0
128.0 100.0
129.0 64.4
130.0 5.4
142.0 1.0
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H15 N O
|
0.04 ml : 0.5 ml CDCl3
|
| 1-methyl-3-piperidinemethanol
|
 |
Assign. Shift(ppm)
A 3.86
B *1 3.51
C *1 3.45
D 2.89
E 2.69
F 2.246
G 2.04 to 1.54
J 0.97
|
Hz ppm Int.
345.50 3.858 69
315.88 3.528 63
312.88 3.494 74
310.69 3.470 78
306.88 3.427 59
253.44 2.830 36
201.25 2.248 1000
167.31 1.869 37
163.63 1.828 65
163.50 1.826 65
162.81 1.818 65
157.19 1.756 102
155.94 1.742 89
152.13 1.699 73
149.38 1.668 73
146.00 1.631 79
141.81 1.584 33
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| 1H NMR |
399.65 MHz |
| C7 H15 N O
|
0.05 ml : 0.5 ml CDCl3
|
| 1-methyl-3-piperidinemethanol
|
|
Assign. Shift(ppm)
A 4.9
B *1 3.480
C *1 3.373
D 2.916
E 2.745
F 2.247
G 1.92
J 1.78
K 1.75 to 1.66
L 1.59
M 0.934
ASSIGNED BY H-H COSY.
J(B,C)=-10.6HZ.
J(B,J)=5.4HZ.
J(C,J)=6.9HZ.
|
Hz ppm Int.
1399.78 3.503 66
1394.53 3.490 65
1389.16 3.476 108
1383.79 3.463 98
1355.96 3.393 89
1349.12 3.376 86
1345.34 3.367 66
1338.38 3.349 58
1170.17 2.928 50
1160.52 2.904 53
1102.54 2.759 44
1097.53 2.747 33
1091.43 2.731 45
898.32 2.248 1000
777.47 1.946 30
767.58 1.921 53
767.09 1.920 53
756.35 1.893 31
720.34 1.803 34
716.92 1.794 38
714.97 1.789 42
713.38 1.786 46
711.55 1.781 42
710.08 1.777 45
707.89 1.772 45
706.42 1.768 42
704.47 1.763 44
702.88 1.759 43
701.05 1.755 42
699.95 1.752 41
693.73 1.736 76
690.19 1.727 86
686.52 1.718 119
685.18 1.715 119
677.98 1.697 97
675.54 1.691 132
672.49 1.683 124
668.95 1.674 72
640.38 1.603 51
636.60 1.593 41
631.10 1.580 36
628.78 1.574 40
627.20 1.570 37
378.05 0.946 35
377.81 0.946 35
375.85 0.941 38
366.94 0.919 35