香茅醇(106-22-9)紅外圖譜(IR1)
InChI:InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Smiles:C(O)CC(C)CC/C=C(/C)\C
-
Mass
MS-NW-0852
3,7-dimethyl-6-octen-1-ol
C10H20O (Mass of molecular ion: 156)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
27.0 10.8
28.0 5.3
29.0 10.7
31.0 8.5
32.0 1.1
39.0 13.8
40.0 3.0
41.0 74.2
42.0 7.8
43.0 15.9
45.0 2.1
51.0 2.0
52.0 1.0
53.0 8.9
54.0 2.6
55.0 33.3
56.0 20.5
57.0 10.5
59.0 1.5
65.0 2.0
66.0 1.0
67.0 27.6
68.0 24.5
69.0 100.0
70.0 14.8
71.0 18.8
72.0 1.4
77.0 2.7
78.0 1.0
79.0 3.8
80.0 4.0
81.0 28.8
82.0 30.7
83.0 9.4
84.0 4.1
85.0 2.5
86.0 2.1
91.0 2.7
92.0 1.7
93.0 9.0
94.0 2.5
95.0 23.0
96.0 6.5
97.0 1.7
105.0 1.7
107.0 1.6
109.0 11.0
110.0 3.9
111.0 3.3
112.0 1.4
119.0 1.1
121.0 3.6
123.0 17.8
124.0 1.7
136.0 2.3
138.0 6.0
139.0 1.4
154.0 2.3
156.0 8.4
161.0 2.3
204.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C10 H20 O
|
0.05 ml : 0.5 ml CDCl3
|
| 3,7-dimethyl-6-octen-1-ol
|
 |
Assign. Shift(ppm)
A 5.099
B 3.660
C 2.14
D 1.99
E 1.682
F 1.603
G 1.78 to 1.500
J *1 1.59
K *1 1.38
L *2 1.34
M *2 1.177
N 0.904
|
Hz ppm Int.
2046.14 5.120 61
2044.68 5.117 77
2043.33 5.113 65
2041.87 5.110 46
2040.41 5.106 63
2039.06 5.103 114
2037.60 5.099 144
2036.25 5.096 112
2034.79 5.092 61
2033.33 5.088 42
2031.86 5.085 61
2030.52 5.081 74
2029.05 5.078 57
1477.66 3.698 61
1476.07 3.694 47
1472.90 3.686 125
1469.97 3.679 77
1467.16 3.672 174
1465.45 3.667 201
1459.47 3.652 200
1458.50 3.650 189
1458.01 3.649 198
1454.71 3.640 58
1451.05 3.631 149
1447.51 3.622 64
1440.67 3.605 45
810.30 2.028 51
809.45 2.026 49
803.22 2.010 76
802.25 2.008 74
801.03 2.005 72
799.80 2.002 72
798.71 1.999 72
797.85 1.997 70
793.70 1.986 96
792.72 1.984 96
789.55 1.976 68
788.57 1.974 67
786.50 1.968 61
784.06 1.962 69
783.20 1.960 70
776.00 1.942 45
682.74 1.709 74
672.49 1.683 833
671.39 1.680 770
660.64 1.654 61
655.27 1.640 81
653.69 1.636 87
652.95 1.634 89
647.58 1.621 140
646.00 1.617 110
640.99 1.604 964
635.50 1.591 141
631.35 1.580 70
630.49 1.578 70
628.54 1.573 114
622.19 1.557 87
621.22 1.555 72
616.70 1.544 44
615.60 1.541 55
614.62 1.538 51
567.63 1.421 61
561.52 1.406 53
559.94 1.402 106
554.57 1.388 120
552.49 1.383 93
548.71 1.373 114
547.00 1.369 130
545.29 1.365 67
543.21 1.360 68
541.38 1.355 134
539.92 1.351 90
538.94 1.349 73
536.38 1.343 74
535.16 1.340 82
533.69 1.336 62
531.98 1.332 72
529.91 1.326 66
526.86 1.319 59
525.51 1.315 58
520.26 1.302 50
487.06 1.219 56
480.96 1.204 62
479.37 1.200 69
477.66 1.196 66
473.39 1.185 88
471.56 1.180 66
469.97 1.176 70
467.65 1.171 50
466.06 1.167 52
463.99 1.161 83
460.08 1.152 47
458.25 1.147 41
456.54 1.143 44
364.50 0.913 1000
360.96 0.904 131
357.91 0.896 900
354.37 0.887 58
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| 1H NMR |
89.56 MHz |
| C10 H20 O
|
0.04 ml : 0.5 ml CDCl3
|
| 3,7-dimethyl-6-octen-1-ol
|
|
Assign. Shift(ppm)
A 5.10
B 3.668
C 1.98
D 1.68
E 1.60
F 1.83 to 1.05
G 0.908
|
Hz ppm Int.
463.69 5.178 61
462.38 5.163 49
458.13 5.116 90
456.69 5.100 119
455.25 5.084 96
453.94 5.069 49
451.06 5.037 54
449.69 5.022 64
448.19 5.005 52
335.44 3.746 172
332.69 3.715 49
332.19 3.710 49
331.81 3.705 51
329.31 3.677 264
328.63 3.670 288
322.25 3.599 206
189.19 2.113 47
188.88 2.109 48
182.06 2.033 130
174.38 1.948 149
167.13 1.867 67
151.06 1.687 797
150.00 1.675 779
143.56 1.603 1000
137.56 1.536 160
136.81 1.528 175
134.25 1.499 180
132.69 1.482 236
129.75 1.449 133
127.94 1.429 82
127.31 1.422 80
125.88 1.406 180
123.75 1.382 111
121.13 1.353 108
118.75 1.326 145
117.50 1.312 139
114.44 1.278 94
112.44 1.256 161
111.31 1.243 100
110.69 1.236 107
108.25 1.209 55
107.69 1.203 60
107.25 1.198 58
105.81 1.182 91
104.88 1.172 107
84.31 0.942 613
80.81 0.903 190
78.31 0.875 565
74.56 0.833 58