2-環(huán)己基乙醇(4442-79-9)紅外圖譜(IR1)
InChI:InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey: QJQZRLXDLORINA-UHFFFAOYSA-N
Smiles:C1(CCO)CCCCC1
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Mass
MS-NW-2108
2-cyclohexylethanol
C8H16O (Mass of molecular ion: 128)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 2.5
27.0 12.4
28.0 3.3
29.0 11.8
31.0 10.3
39.0 16.2
40.0 2.8
41.0 46.5
42.0 6.8
43.0 6.8
44.0 2.1
45.0 1.4
46.0 1.0
51.0 1.9
52.0 1.0
53.0 7.4
54.0 25.6
55.0 78.0
56.0 6.4
57.0 4.5
65.0 2.2
66.0 4.1
67.0 73.2
68.0 26.9
69.0 14.9
70.0 1.1
77.0 1.8
79.0 3.9
80.0 5.0
81.0 100.0
82.0 97.7
83.0 26.4
84.0 1.6
91.0 5.2
92.0 3.0
95.0 17.5
96.0 1.5
97.0 1.6
109.0 2.4
110.0 33.9
111.0 3.1
122.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H16 O
|
0.05 ml : 0.5 ml CDCl3
|
| 2-cyclohexylethanol
|
 |
Assign. Shift(ppm)
A 3.646
B 2.61
C 1.84 to 1.58
D 1.452
E 1.38
F 1.23
G 1.16
J 0.920
ASSIGNED BY H-H COSY.
|
Hz ppm Int.
1469.48 3.677 38
1464.11 3.664 548
1457.28 3.647 1000
1450.44 3.630 592
1445.19 3.617 30
1039.43 2.601 202
689.82 1.727 236
688.35 1.723 258
686.28 1.718 299
684.94 1.714 314
683.35 1.710 273
682.01 1.707 322
678.10 1.697 366
676.51 1.693 367
675.17 1.690 384
674.07 1.687 372
672.12 1.682 323
668.82 1.674 300
667.36 1.670 296
665.77 1.666 278
659.91 1.652 101
658.45 1.648 90
657.47 1.646 93
655.15 1.640 98
654.17 1.637 104
652.47 1.633 117
651.12 1.630 111
649.54 1.626 84
647.95 1.622 76
646.36 1.618 53
592.04 1.482 184
585.21 1.465 484
578.13 1.447 708
571.41 1.430 347
568.97 1.424 83
565.92 1.417 63
563.60 1.411 56
561.40 1.405 89
558.23 1.397 122
555.30 1.390 90
552.37 1.383 92
550.66 1.378 102
547.49 1.370 93
544.68 1.363 79
541.14 1.355 64
540.16 1.352 55
537.11 1.344 44
533.81 1.336 33
516.48 1.293 43
512.45 1.283 71
509.40 1.275 47
507.45 1.270 44
503.78 1.261 124
503.17 1.260 124
501.46 1.255 137
499.88 1.251 164
497.19 1.245 118
490.36 1.227 203
487.30 1.220 224
478.39 1.198 174
474.98 1.189 224
472.90 1.184 190
469.12 1.174 43
466.55 1.168 102
463.99 1.161 131
461.55 1.155 101
454.59 1.138 54
451.54 1.130 108
448.61 1.123 58
439.21 1.099 38
384.64 0.963 104
382.08 0.957 115
370.00 0.926 221
359.38 0.900 196
349.24 0.874 65
345.46 0.865 52
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| 1H NMR |
89.56 MHz |
| C8 H16 O
|
0.04 ml : 0.5 ml CDCl3
|
| 2-cyclohexylethanol
|
|
Assign. Shift(ppm)
A 3.655
B 1.99
C 1.88 to 0.62
400MHZ : HSP-41-240
|
Hz ppm Int.
334.38 3.734 165
329.44 3.679 57
327.63 3.659 383
321.06 3.585 204
177.81 1.986 1000
158.31 1.768 132
157.94 1.764 131
155.25 1.734 135
153.31 1.712 117
149.13 1.666 224
149.00 1.664 224
147.81 1.651 211
140.50 1.569 73
135.19 1.510 136
129.56 1.447 201
128.69 1.437 191
124.50 1.391 133
122.19 1.365 116
119.75 1.338 76
119.38 1.333 75
118.63 1.325 73
118.31 1.322 73
118.00 1.318 73
116.25 1.299 64
115.75 1.293 64
112.13 1.253 60
108.25 1.209 126
102.63 1.146 85
100.75 1.125 108
99.38 1.110 106
99.00 1.106 105
96.06 1.073 65
94.63 1.057 72
94.31 1.054 72
89.38 0.998 46
88.94 0.994 46
88.31 0.987 45
87.81 0.981 46
86.50 0.966 51
86.13 0.962 52
85.31 0.953 54
84.63 0.945 53
84.31 0.942 53
84.00 0.938 53
81.81 0.914 44
80.25 0.897 40
79.94 0.893 39
78.63 0.878 36
78.19 0.874 36
77.19 0.862 37
76.75 0.857 37
75.88 0.848 35
75.38 0.842 36
74.69 0.834 35
74.31 0.830 35