3-甲基-2-環(huán)己烯-1-醇(21378-21-2)核磁圖(1HNMR)
InChI:InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3
InChIKey: XNDZQQSKSQTQQD-UHFFFAOYSA-N
Smiles:C1(O)CCCC(C)=C1
-
Mass
MS-NW-5616
3-methyl-2-cyclohexen-1-ol
C7H12O (Mass of molecular ion: 112)
Source Temperature: 270 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.3
17.0 1.7
18.0 7.8
26.0 1.2
27.0 12.6
28.0 2.7
29.0 5.5
31.0 2.1
37.0 1.0
38.0 2.6
39.0 22.3
40.0 4.7
41.0 23.2
42.0 2.7
43.0 11.0
44.0 1.5
45.0 1.5
50.0 3.0
51.0 6.8
52.0 3.0
53.0 9.6
54.0 4.1
55.0 14.8
56.0 6.7
57.0 3.1
58.0 1.1
62.0 1.4
63.0 2.8
65.0 6.2
66.0 5.3
67.0 9.7
68.0 2.0
69.0 20.5
70.0 2.0
71.0 1.4
77.0 26.4
78.0 4.6
79.0 65.2
80.0 5.2
81.0 2.4
82.0 3.5
83.0 19.5
84.0 31.3
85.0 2.2
91.0 12.7
92.0 2.1
93.0 10.3
94.0 28.9
95.0 5.7
97.0 100.0
98.0 6.8
110.0 1.2
111.0 5.8
112.0 9.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H12 O
|
0.05 ml : 0.5 ml CDCl3
|
| 3-methyl-2-cyclohexen-1-ol
|
 |
Assign. Shift(ppm)
A 5.485
B 4.161
C 2.49
D 1.90
E 1.80 to 1.710
F 1.678
G 1.63 to 1.500
|
Hz ppm Int.
2195.80 5.495 101
2194.21 5.491 172
2192.63 5.487 207
2190.92 5.483 199
2189.33 5.479 156
2187.74 5.475 80
1661.87 4.159 116
995.85 2.492 134
785.64 1.966 40
784.79 1.964 48
783.81 1.962 50
782.96 1.960 46
782.10 1.957 38
772.34 1.933 63
771.61 1.931 63
770.75 1.929 65
769.90 1.927 69
768.92 1.924 78
768.07 1.922 98
767.21 1.920 114
766.36 1.918 118
765.50 1.916 113
762.82 1.909 67
761.96 1.907 64
761.11 1.905 66
760.13 1.902 66
759.40 1.901 64
758.67 1.899 64
757.81 1.897 68
756.96 1.895 70
755.98 1.892 70
755.13 1.890 68
754.03 1.887 68
753.17 1.885 75
752.32 1.883 85
751.46 1.881 99
750.61 1.879 108
749.63 1.876 105
748.78 1.874 96
747.92 1.872 86
746.95 1.870 78
746.09 1.867 73
745.24 1.865 65
744.51 1.863 51
733.89 1.837 44
733.03 1.835 51
732.18 1.833 52
731.45 1.831 47
730.47 1.828 38
725.71 1.816 40
724.85 1.814 46
724.12 1.812 49
718.99 1.800 41
718.26 1.798 40
715.58 1.791 110
714.48 1.788 113
711.79 1.782 151
710.82 1.779 164
707.89 1.772 66
706.67 1.769 140
705.81 1.767 151
700.68 1.754 239
696.41 1.743 153
695.43 1.741 152
691.04 1.730 56
690.19 1.727 71
687.38 1.720 57
686.28 1.718 49
685.55 1.716 43
683.47 1.711 44
682.13 1.707 49
680.66 1.704 60
679.93 1.702 63
679.08 1.700 59
677.98 1.697 63
672.61 1.683 476
671.75 1.681 778
671.26 1.680 818
670.41 1.678 1000
669.43 1.676 726
668.95 1.674 641
667.97 1.672 371
635.50 1.591 53
635.13 1.590 52
634.28 1.588 47
630.98 1.579 124
629.27 1.575 107
627.69 1.571 165
626.95 1.569 162
626.10 1.567 163
623.29 1.560 140
621.70 1.556 147
617.92 1.547 141
614.62 1.538 145
613.77 1.536 141
611.57 1.531 72
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| 1H NMR |
89.56 MHz |
| C7 H12 O
|
0.04 ml : 0.5 ml CDCl3
|
| 3-methyl-2-cyclohexen-1-ol
|
|
Assign. Shift(ppm)
A 5.49
B 4.16
C 2.05 to 1.30
D 1.80
E 1.68
|
Hz ppm Int.
495.44 5.532 51
494.19 5.518 106
492.75 5.502 128
490.63 5.479 124
489.38 5.465 112
489.25 5.463 112
488.13 5.451 70
378.75 4.230 32
377.00 4.210 47
375.56 4.194 66
374.94 4.187 66
374.06 4.177 79
373.25 4.168 76
372.63 4.161 81
372.00 4.154 80
370.31 4.135 74
368.88 4.119 63
367.00 4.098 40
178.44 1.993 30
175.56 1.961 75
174.38 1.948 79
173.38 1.936 89
170.25 1.901 184
167.25 1.868 223
166.38 1.858 225
165.44 1.848 249
161.00 1.798 389
157.19 1.756 155
156.38 1.747 150
154.75 1.728 226
152.88 1.708 351
151.50 1.692 792
150.63 1.682 1000
149.25 1.667 748
145.44 1.624 229
143.81 1.606 190
141.06 1.576 122
139.13 1.554 88
137.63 1.537 92
137.19 1.532 94
136.56 1.525 88
135.06 1.509 67
132.69 1.482 57
130.19 1.454 42
128.13 1.431 30