N-甲基高哌嗪(4318-37-0)红外图谱(IR2)
InChI:InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3
InChIKey: FXHRAKUEZPSMLJ-UHFFFAOYSA-N
Smiles:N1(C)CCCNCC1
-
Mass
MS-NW-1211
1-methyl-1,4-diazacycloheptane
C6H14N2 (Mass of molecular ion: 114)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 8.1
18.0 4.3
26.0 1.1
27.0 6.0
28.0 15.7
29.0 3.9
30.0 9.0
39.0 4.0
40.0 1.5
41.0 11.8
42.0 41.6
43.0 40.1
44.0 40.7
45.0 1.8
46.0 1.6
54.0 2.3
55.0 2.1
56.0 10.3
57.0 35.9
58.0 100.0
59.0 4.1
68.0 2.6
69.0 7.7
70.0 26.7
71.0 12.7
72.0 31.9
73.0 1.7
82.0 2.3
83.0 11.9
84.0 19.0
85.0 10.5
86.0 1.7
99.0 2.6
113.0 3.3
114.0 38.7
115.0 3.0
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C6 H14 N2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-methyl-1,4-diazacycloheptane
|
 |
Assign. Shift(ppm)
A 2.93
B 2.60
C 2.380
D 1.77
E 1.74
400MHZ : HSP-40-459
|
Hz ppm Int.
270.69 3.023 128
266.31 2.974 117
264.63 2.955 249
262.75 2.934 141
261.75 2.923 124
258.44 2.886 240
256.94 2.869 127
255.06 2.848 95
240.63 2.687 106
237.25 2.650 120
235.31 2.628 211
233.81 2.611 155
229.31 2.561 215
226.06 2.525 85
213.19 2.381 1000
171.38 1.914 37
167.25 1.868 42
165.38 1.847 93
163.75 1.829 43
161.50 1.804 56
159.44 1.781 113
155.44 1.736 250
-
| 1H NMR |
399.65 MHz |
| C6 H14 N2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-methyl-1,4-diazacycloheptane
|
|
Assign. Shift(ppm)
A 2.955
B 2.921
C 2.621
D 2.585
E 2.385
F 1.793
G 1.69
ASSIGNED BY H-H COSY.
90MHZ : HSP-00-595
|
Hz ppm Int.
1187.50 2.972 227
1181.40 2.957 299
1179.32 2.951 46
1178.22 2.949 32
1175.05 2.941 237
1172.36 2.934 205
1169.68 2.927 68
1168.82 2.925 96
1167.36 2.921 166
1165.41 2.917 88
1164.43 2.914 67
1162.11 2.908 215
1053.59 2.637 146
1050.78 2.630 43
1047.73 2.622 155
1044.31 2.614 46
1041.75 2.607 158
1038.09 2.598 160
1034.91 2.590 82
1032.71 2.585 150
1030.88 2.580 80
1027.59 2.572 123
955.32 2.391 71
953.13 2.385 1000
950.20 2.378 48
728.39 1.823 66
723.88 1.812 45
722.29 1.808 108
719.97 1.802 39
717.90 1.797 58
716.55 1.793 135
716.06 1.792 135
714.97 1.789 60
712.89 1.784 36
710.33 1.778 97
708.86 1.774 40
704.35 1.763 56
676.15 1.692 37