2,5-二甲基-1-己烯(6975-92-4)红外图谱(IR1)
InChI:InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h8H,1,5-6H2,2-4H3
InChIKey: ISZWTVCVSJVEOL-UHFFFAOYSA-N
Smiles:C=C(C)CCC(C)C
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Mass
MS-NW-3499
2,5-dimethyl-1-hexene
C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.1
27.0 11.8
28.0 1.7
29.0 15.4
38.0 1.2
39.0 15.9
40.0 3.0
41.0 46.4
42.0 5.3
43.0 11.3
50.0 1.0
51.0 1.8
53.0 5.6
54.0 2.0
55.0 31.1
56.0 100.0
57.0 40.4
58.0 1.9
67.0 2.7
68.0 2.1
69.0 15.5
70.0 3.7
81.0 1.0
97.0 1.4
112.0 10.5
113.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C8 H16
|
0.04 ml : 0.5 ml CDCl3
|
| 2,5-dimethyl-1-hexene
|
 |
Assign. Shift(ppm)
A 4.67
B 2.00
C 1.712
D 1.57
E 1.33
F 0.897
|
Hz ppm Int.
419.75 4.687 153
418.63 4.675 273
417.63 4.664 281
416.50 4.651 155
187.63 2.096 57
180.63 2.017 83
177.63 1.984 51
172.38 1.925 94
154.50 1.726 344
153.44 1.714 557
152.19 1.700 353
145.88 1.629 30
140.38 1.568 39
139.19 1.555 45
133.00 1.486 42
128.25 1.433 88
127.00 1.419 98
125.31 1.400 49
123.69 1.382 43
122.19 1.365 82
120.81 1.349 49
119.38 1.333 113
118.63 1.325 84
117.00 1.307 60
114.19 1.276 43
112.25 1.254 116
110.88 1.239 39
106.63 1.191 39
104.75 1.170 31
82.94 0.927 1000
76.94 0.860 775
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| 1H NMR |
399.65 MHz |
| C8 H16
|
0.05 ml : 0.5 ml CDCl3
|
| 2,5-dimethyl-1-hexene
|
|
Assign. Shift(ppm)
A 4.67
B 2.006
C 1.715
D 1.536
E 1.317
F 0.894
|
Hz ppm Int.
1872.44 4.686 46
1871.70 4.684 55
1870.85 4.682 73
1870.12 4.680 86
1869.38 4.678 82
1868.65 4.676 85
1867.80 4.674 70
1866.21 4.670 89
1865.36 4.668 92
1864.01 4.665 69
1863.04 4.662 47
809.33 2.026 58
801.88 2.007 68
793.46 1.986 61
686.40 1.718 277
685.55 1.716 345
621.34 1.555 46
614.62 1.538 58
608.03 1.522 50
536.50 1.343 79
531.62 1.331 33
530.40 1.328 57
529.66 1.326 105
528.20 1.322 97
526.49 1.318 47
525.27 1.315 34
524.78 1.314 34
523.56 1.311 40
521.85 1.306 61
521.12 1.304 69
520.26 1.302 112
513.67 1.286 55
366.46 0.917 30
360.72 0.903 1000
354.00 0.886 888