2,4-二甲基-1-己烯(16746-87-5)红外图谱(IR1)
InChI:InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKey: PKVDGQHNRICJLA-UHFFFAOYSA-N
Smiles:C=C(C)CC(C)CC
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Mass
MS-NW-3493
2,4-dimethyl-1-hexene
C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 1.0
27.0 13.7
28.0 2.0
29.0 28.2
38.0 1.3
39.0 16.8
40.0 3.9
41.0 57.1
42.0 4.8
43.0 3.7
50.0 1.3
51.0 2.2
53.0 6.0
54.0 1.5
55.0 30.5
56.0 100.0
57.0 79.4
58.0 3.6
65.0 1.0
67.0 4.4
68.0 1.8
69.0 5.0
70.0 9.0
81.0 1.3
83.0 6.7
97.0 1.4
112.0 6.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H16
|
0.05 ml : 0.5 ml CDCl3
|
| 2,4-dimethyl-1-hexene
|
 |
Assign. Shift(ppm)
A *1 4.725
B *1 4.647
C *2 2.026
D *2 1.790
E 1.683
F 1.526
G *3 1.354
J *3 1.115
K 0.885
L 0.833
J(C,D) = 13.6 HZ.
J(C,F) = 6.2 HZ.
J(D,F) = 8.3 HZ.
J(F,G) = 5.2 HZ.
J(F,J) = 6.8 HZ.
J(G,J) = 13.5 HZ.
J(G,K) = J(J,K) = 7.4 HZ.
J(F,L) = 6.7 HZ
|
Hz ppm Int.
1890.38 4.731 123
1889.04 4.727 159
1887.94 4.724 165
1886.47 4.721 131
1859.25 4.653 95
1858.28 4.650 155
1857.18 4.648 170
1856.08 4.645 156
1854.86 4.642 130
1853.76 4.639 80
820.43 2.053 61
814.21 2.038 65
806.88 2.019 80
800.78 2.004 83
726.20 1.818 97
725.22 1.815 98
717.90 1.797 113
716.92 1.794 114
712.65 1.784 75
711.67 1.781 75
704.35 1.763 88
703.37 1.760 89
683.59 1.711 39
673.58 1.686 647
672.49 1.683 746
671.39 1.680 553
661.25 1.655 36
621.70 1.556 30
620.36 1.553 44
619.02 1.549 39
615.23 1.540 43
613.89 1.537 62
612.43 1.533 58
610.84 1.529 34
608.76 1.524 41
607.30 1.520 64
605.83 1.516 58
604.37 1.513 38
600.83 1.504 41
599.24 1.500 44
554.69 1.388 61
549.44 1.375 58
547.12 1.369 69
543.70 1.361 34
541.87 1.356 79
541.26 1.355 83
539.79 1.351 38
536.01 1.342 68
533.69 1.336 80
528.56 1.323 68
526.37 1.318 35
521.24 1.305 32
459.47 1.150 81
452.03 1.132 109
445.92 1.116 72
444.95 1.114 72
444.46 1.113 77
438.48 1.098 83
437.38 1.095 43
431.64 1.081 48
430.91 1.079 55
360.47 0.902 504
356.45 0.892 62
353.03 0.884 974
349.24 0.874 53
345.58 0.865 384
342.53 0.858 40
342.29 0.857 40
342.04 0.856 40
341.19 0.854 40
335.94 0.841 1000
333.37 0.835 68
329.22 0.824 937
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| 1H NMR |
89.56 MHz |
| C8 H16
|
0.04 ml : 0.5 ml CDCl3
|
| 2,4-dimethyl-1-hexene
|
|
Assign. Shift(ppm)
A *1 4.72
B *1 4.65
C *2 2.01
D *2 1.79
E 1.680
F 1.61 to 1.01
G 0.87
J 0.84
|
Hz ppm Int.
426.25 4.760 37
425.06 4.747 91
424.69 4.742 90
423.63 4.731 132
422.50 4.718 179
421.06 4.702 160
419.31 4.682 73
418.31 4.671 99
417.19 4.659 168
416.31 4.649 189
415.38 4.639 144
413.75 4.620 99
412.81 4.610 58
187.00 2.088 37
179.94 2.010 85
174.31 1.947 93
169.69 1.895 97
168.75 1.885 102
162.31 1.813 132
161.44 1.803 140
151.69 1.694 610
150.69 1.683 882
149.44 1.669 668
141.63 1.582 65
140.69 1.571 60
139.63 1.560 49
135.38 1.512 61
134.44 1.502 61
133.00 1.486 42
132.44 1.479 39
131.25 1.466 45
128.19 1.432 70
127.06 1.419 48
124.31 1.389 40
122.63 1.370 66
120.94 1.351 56
118.19 1.320 65
116.31 1.299 32
115.06 1.285 97
112.69 1.259 54
111.75 1.248 56
111.00 1.240 71
109.38 1.222 54
107.19 1.197 59
106.00 1.184 36
104.88 1.172 90
100.75 1.125 30
99.19 1.108 78
97.75 1.092 91
92.50 1.033 76
87.50 0.977 62
84.56 0.945 352
83.88 0.937 402
81.50 0.911 87
80.88 0.904 90
79.38 0.887 255
77.50 0.866 1000
73.00 0.816 174
71.31 0.797 700
68.94 0.770 109
68.38 0.764 109