n-己基环己烷(4292-75-5)Raman光谱
InChI:InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
InChIKey: QHWAQXOSHHKCFK-UHFFFAOYSA-N
Smiles:C1(CCCCCC)CCCCC1
-
Mass
MS-NW-3476
hexylcyclohexane
C12H24 (Mass of molecular ion: 168)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 5.4
29.0 7.6
39.0 5.5
40.0 1.0
41.0 21.7
42.0 3.8
43.0 10.5
53.0 2.5
54.0 4.6
55.0 47.1
56.0 8.8
57.0 4.6
67.0 12.5
68.0 3.2
69.0 10.2
70.0 4.3
71.0 1.2
81.0 2.4
82.0 61.4
83.0 100.0
84.0 10.7
85.0 1.2
97.0 4.5
98.0 1.4
111.0 1.3
168.0 8.1
169.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C12 H24
|
0.04 ml : 0.5 ml CDCl3
|
| hexylcyclohexane
|
 |
Assign. Shift(ppm)
A 1.75 to 1.58
B 1.29 to 1.24
C 1.22
D 1.20 to 1.14
E 1.13
F 0.879
G 0.85
|
Hz ppm Int.
680.91 1.704 180
680.05 1.702 174
677.12 1.695 159
673.83 1.687 162
672.61 1.683 182
671.02 1.680 198
670.17 1.677 209
669.56 1.676 208
668.33 1.673 197
665.16 1.665 164
664.06 1.662 154
661.87 1.657 134
660.89 1.654 123
655.27 1.640 49
653.56 1.636 42
652.71 1.634 42
649.90 1.627 52
647.83 1.621 60
646.48 1.618 56
644.90 1.614 43
643.31 1.610 39
526.61 1.318 52
519.90 1.301 113
518.80 1.299 111
514.65 1.288 164
513.31 1.285 167
512.45 1.283 168
502.93 1.259 667
502.08 1.257 662
500.00 1.252 593
494.38 1.238 152
492.43 1.233 126
490.11 1.227 132
487.67 1.221 89
486.94 1.219 90
485.11 1.214 72
480.83 1.204 132
477.66 1.196 158
474.61 1.188 108
468.87 1.174 263
466.55 1.168 301
462.40 1.158 200
460.57 1.153 173
458.01 1.147 156
455.93 1.141 140
452.03 1.132 43
450.81 1.129 44
448.61 1.123 42
445.68 1.116 63
442.87 1.109 34
358.64 0.898 349
351.81 0.881 1000
349.24 0.874 118
348.88 0.873 117
344.73 0.863 417
339.72 0.851 50
334.59 0.838 90
330.93 0.829 44
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| 1H NMR |
89.56 MHz |
| C12 H24
|
0.04 ml : 0.5 ml CDCl3
|
| hexylcyclohexane
|
|
Assign. Shift(ppm)
A 1.84 to 1.52
B 1.25
C 1.44 to 0.68
D 0.88
|
Hz ppm Int.
156.38 1.747 134
154.94 1.731 126
153.81 1.718 136
151.88 1.696 122
147.44 1.647 230
147.13 1.643 230
146.38 1.635 222
137.38 1.534 45
136.63 1.526 40
136.50 1.525 40
136.06 1.520 40
135.63 1.515 38
135.00 1.508 38
134.69 1.504 38
133.81 1.495 37
133.31 1.489 37
133.00 1.486 35
132.31 1.478 35
132.00 1.474 35
131.25 1.466 33
130.63 1.459 33
129.38 1.445 37
128.00 1.430 42
127.50 1.424 43
127.19 1.421 45
126.75 1.416 45
126.19 1.409 47
125.25 1.399 49
123.81 1.383 58
123.50 1.379 59
112.00 1.251 1000
101.25 1.131 181
100.81 1.126 182
100.00 1.117 180
99.69 1.114 178
99.06 1.107 178
92.81 1.037 93
92.31 1.031 92
92.00 1.028 92
91.44 1.021 92
90.63 1.012 89
89.50 1.000 87
89.06 0.995 88
88.69 0.991 89
88.19 0.985 89
84.06 0.939 164
82.69 0.924 149
82.06 0.917 146
81.63 0.912 146
78.69 0.879 389
72.69 0.812 118
66.13 0.739 34