環(huán)己醇(108-93-0)紅外圖譜(IR2)
InChI:InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
Smiles:C1(O)CCCCC1
-
Mass
MS-NW-5520
cyclohexanol
C6H12O (Mass of molecular ion: 100)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.4
18.0 1.7
26.0 1.3
27.0 11.4
28.0 3.5
29.0 10.1
31.0 5.9
38.0 1.0
39.0 11.4
40.0 2.2
41.0 22.7
42.0 7.4
43.0 6.9
44.0 24.0
45.0 4.0
50.0 1.1
51.0 1.6
53.0 4.1
54.0 14.8
55.0 8.1
56.0 13.2
57.0 100.0
58.0 8.7
67.0 26.5
68.0 1.8
69.0 1.8
70.0 1.2
71.0 13.2
72.0 7.0
79.0 1.7
81.0 5.4
82.0 46.1
83.0 4.1
85.0 1.0
99.0 1.4
100.0 3.3
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C6 H12 O
|
10.3 mol% in CDCl3
|
| cyclohexanol
|
 |
Assign. Shift(ppm)
A 3.58
B 2.63
C 1.04 to 2.04
400MHZ : HSP-40-238
|
Hz ppm Int.
331.00 3.696 30
326.38 3.645 45
325.44 3.634 49
324.50 3.624 48
321.63 3.592 68
319.44 3.567 48
318.63 3.558 52
317.31 3.543 66
315.94 3.528 50
313.75 3.504 40
313.00 3.495 37
312.00 3.484 46
235.56 2.631 1000
179.50 2.005 37
178.25 1.991 48
174.50 1.949 84
172.63 1.928 105
170.50 1.904 142
169.56 1.894 151
168.69 1.884 145
167.38 1.869 152
166.50 1.860 147
165.81 1.852 148
163.25 1.823 138
161.00 1.798 163
160.06 1.788 158
158.63 1.772 183
156.69 1.750 156
155.06 1.732 181
154.06 1.721 181
148.44 1.658 87
147.38 1.646 83
145.94 1.630 83
145.81 1.629 83
144.81 1.617 83
143.31 1.601 94
142.63 1.593 99
141.63 1.582 100
140.63 1.571 97
140.06 1.564 98
138.75 1.550 101
137.63 1.537 99
134.13 1.498 81
131.19 1.465 92
130.88 1.462 93
130.38 1.456 95
129.69 1.449 91
129.56 1.447 91
128.88 1.440 91
128.75 1.438 91
126.69 1.415 90
126.25 1.410 90
121.75 1.360 154
118.81 1.327 178
114.38 1.278 293
113.31 1.266 334
110.75 1.237 298
109.13 1.219 263
107.38 1.199 202
105.75 1.181 223
105.00 1.173 222
99.81 1.115 67
99.44 1.111 66
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| 1H NMR |
399.65 MHz |
| C6 H12 O
|
0.05 ml : 0.5 ml CDCl3
|
| cyclohexanol
|
|
Assign. Shift(ppm)
A 3.578
B 2.84
C 1.882
D 1.728
E 1.542
F 1.30 to 1.22
G 1.16
|
Hz ppm Int.
1443.48 3.612 49
1439.21 3.602 79
1434.08 3.589 131
1429.93 3.578 156
1425.54 3.567 129
1422.49 3.560 76
1420.53 3.555 85
1416.50 3.545 39
1134.40 2.839 1000
761.60 1.906 131
756.71 1.894 266
753.66 1.886 272
752.56 1.884 276
749.88 1.877 228
748.66 1.874 226
743.53 1.861 158
700.93 1.754 120
697.39 1.746 176
692.87 1.734 223
691.89 1.732 233
688.84 1.724 327
685.18 1.715 235
683.96 1.712 217
679.69 1.701 92
673.95 1.687 45
672.36 1.683 36
625.37 1.565 95
623.54 1.561 107
622.44 1.558 126
621.34 1.555 112
619.38 1.550 100
617.19 1.545 82
615.84 1.541 97
614.38 1.538 101
613.04 1.534 102
610.35 1.528 132
608.15 1.522 102
606.93 1.519 109
603.39 1.510 42
602.42 1.508 40
529.05 1.324 61
525.76 1.316 62
521.48 1.305 78
517.46 1.295 162
512.94 1.284 254
511.84 1.281 267
508.06 1.272 319
504.64 1.263 539
502.69 1.258 527
496.95 1.244 289
493.04 1.234 408
483.76 1.211 111
482.18 1.207 110
479.25 1.200 100
475.83 1.191 86
474.00 1.187 77
470.21 1.177 84
466.80 1.169 105
464.23 1.162 103
458.62 1.148 79
455.20 1.139 81
451.66 1.131 64
447.27 1.120 32
443.73 1.111 30