2,4-二甲基-1-庚烯(19549-87-2)紅外圖譜(IR1)
InChI:InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKey: CZGAOHSMVSIJJZ-UHFFFAOYSA-N
Smiles:C=C(C)CC(C)CCC
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Mass
MS-NW-3198
2,4-dimethyl-1-heptene
C9H18 (Mass of molecular ion: 126)
Source Temperature: 300 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 11.5
29.0 16.4
39.0 13.4
40.0 2.8
41.0 31.2
42.0 13.1
43.0 100.0
44.0 3.3
51.0 1.2
53.0 4.7
54.0 1.4
55.0 44.7
56.0 31.0
57.0 32.5
58.0 1.4
67.0 3.8
68.0 10.8
69.0 16.1
70.0 72.0
71.0 20.7
72.0 1.0
81.0 1.0
83.0 19.1
84.0 4.7
85.0 1.0
95.0 1.1
109.0 1.2
111.0 1.2
126.0 7.9
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H18
|
0.05 ml : 0.5 ml CDCl3
|
| 2,4-dimethyl-1-heptene
|
 |
Assign. Shift(ppm)
A *1 4.723
B *1 4.644
C *2 2.012
D *2 1.791
E 1.680
F 1.614
G *3 1.38
J 1.28
K *3 1.07
L 0.886
M 0.829
J(D,C)=13.5HZ. J(F,D)=8.3HZ. J(C,F)=6.2HZ.
|
Hz ppm Int.
1889.40 4.728 150
1888.31 4.725 192
1887.21 4.723 202
1885.99 4.720 165
1857.30 4.648 180
1856.32 4.645 205
1855.35 4.643 193
814.82 2.039 77
808.59 2.024 83
801.27 2.005 100
795.17 1.990 103
726.56 1.818 108
725.83 1.817 114
718.26 1.798 130
717.41 1.796 135
713.13 1.785 80
712.28 1.783 83
704.83 1.764 103
703.98 1.762 107
671.39 1.680 880
661.62 1.656 31
659.91 1.652 41
658.33 1.648 37
657.10 1.645 31
655.15 1.640 41
653.44 1.636 53
651.86 1.632 53
650.39 1.628 35
648.68 1.624 50
646.97 1.619 66
645.39 1.615 68
643.68 1.611 43
642.21 1.607 47
640.50 1.603 69
638.92 1.599 74
637.70 1.596 51
634.16 1.587 46
632.45 1.583 44
557.74 1.396 45
555.30 1.390 49
552.61 1.383 59
550.42 1.378 66
547.97 1.372 51
545.53 1.366 77
543.33 1.360 60
541.02 1.354 39
538.33 1.348 50
536.01 1.342 70
535.16 1.340 55
529.05 1.324 54
527.22 1.320 89
525.15 1.315 46
523.93 1.311 36
521.97 1.307 161
520.14 1.302 68
518.31 1.297 42
516.97 1.294 81
514.89 1.289 138
513.18 1.285 128
510.99 1.279 102
509.64 1.276 116
508.30 1.272 117
507.32 1.270 98
505.37 1.265 104
503.05 1.259 98
500.49 1.253 38
498.17 1.247 92
496.34 1.242 59
492.68 1.233 43
491.82 1.231 41
443.85 1.111 42
442.75 1.108 41
437.99 1.096 39
435.42 1.090 82
432.37 1.082 65
431.27 1.080 51
430.18 1.077 64
427.49 1.070 84
424.32 1.062 61
422.24 1.057 60
419.56 1.050 48
367.68 0.921 32
367.07 0.919 32
363.53 0.910 78
361.08 0.904 473
354.13 0.887 795
349.73 0.876 107
348.63 0.873 113
346.80 0.868 404
342.53 0.858 54
341.55 0.855 46
334.47 0.837 1000
327.88 0.821 936
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| 1H NMR |
89.56 MHz |
| C9 H18
|
0.05 ml : 0.5 ml CDCl3
|
| 2,4-dimethyl-1-heptene
|
|
Assign. Shift(ppm)
A *1 4.72
B *1 4.65
C *2 2.00
D *2 1.78
E 1.683
F 1.74 to 0.96
G 0.89
J 0.83
|
Hz ppm Int.
424.81 4.744 97
423.50 4.729 145
422.44 4.717 187
421.13 4.703 164
421.00 4.701 164
419.56 4.685 75
418.19 4.670 115
417.25 4.659 187
416.31 4.649 200
413.81 4.621 104
186.69 2.085 36
186.38 2.082 38
186.06 2.078 38
179.31 2.003 91
173.63 1.939 78
169.94 1.898 129
169.06 1.888 120
162.56 1.816 183
161.88 1.808 175
151.44 1.691 742
150.56 1.682 1000
149.56 1.670 745
143.69 1.605 56
142.19 1.588 64
141.50 1.580 59
139.75 1.561 52
139.38 1.557 51
139.19 1.555 51
138.44 1.546 55
137.69 1.538 50
137.13 1.532 51
136.25 1.522 55
133.88 1.495 46
132.56 1.481 32
132.19 1.476 32
130.19 1.454 45
128.50 1.435 58
127.56 1.425 59
126.13 1.409 60
124.94 1.396 66
123.38 1.378 123
121.63 1.359 107
120.50 1.346 84
118.94 1.329 96
118.56 1.324 96
116.31 1.299 181
115.25 1.287 129
112.44 1.256 187
110.31 1.232 187
109.44 1.222 165
108.13 1.208 161
105.44 1.178 110
103.50 1.156 111
102.19 1.142 73
100.13 1.119 52
99.31 1.109 56
97.69 1.091 58
96.38 1.077 61
96.13 1.074 61
94.75 1.058 65
93.88 1.049 55
92.31 1.031 50
90.06 1.006 57
89.13 0.996 50
85.50 0.955 276
83.13 0.929 124
81.63 0.912 169
79.44 0.888 511
77.31 0.864 810
75.00 0.838 188
74.63 0.834 189
73.25 0.818 240
71.19 0.795 671