1,1-二甲基环己烷(590-66-9)红外图谱(IR1)
InChI:InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKey: QEGNUYASOUJEHD-UHFFFAOYSA-N
Smiles:C1(C)(C)CCCCC1
-
Mass
MS-NW-5331
1,1-dimethylcyclohexane
C8H16 (Mass of molecular ion: 112)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 9.0
28.0 1.6
29.0 8.3
39.0 11.2
40.0 2.2
41.0 35.1
42.0 5.3
43.0 12.1
51.0 1.4
53.0 4.3
54.0 1.5
55.0 72.0
56.0 40.9
57.0 13.2
67.0 3.8
68.0 5.5
69.0 49.3
70.0 11.5
81.0 1.4
83.0 3.3
84.0 5.4
96.0 4.8
97.0 100.0
98.0 8.0
112.0 4.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H16
|
0.04 ml : 0.5 ml CDCl3
|
| 1,1-dimethylcyclohexane
|
 |
Assign. Shift(ppm)
A 1.43
B 1.36
C 1.220
D 0.876
|
Hz ppm Int.
577.88 1.446 50
573.24 1.435 102
567.87 1.421 96
562.26 1.407 66
560.91 1.404 58
551.27 1.380 41
549.68 1.376 41
546.39 1.368 55
541.26 1.355 55
493.77 1.236 103
487.79 1.221 127
481.81 1.206 119
350.22 0.877 1000
336.91 0.844 33
331.91 0.831 21
-
| 1H NMR |
89.56 MHz |
| C8 H16
|
0.04 ml : 0.5 ml CDCl3
|
| 1,1-dimethylcyclohexane
|
|
Assign. Shift(ppm)
A 1.59 to 1.04
B 0.876
|
Hz ppm Int.
123.31 1.377 131
118.56 1.324 41
117.31 1.310 39
113.13 1.264 72
111.31 1.243 67
110.06 1.229 64
108.69 1.214 60
104.88 1.172 28
103.63 1.158 29
78.50 0.877 1000