2-甲基-1-辛烯(4588-18-5)质谱(MS)
InChI:InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3H3
InChIKey: FBEDQPGLIKZGIN-UHFFFAOYSA-N
Smiles:C=C(C)CCCCCC
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![图谱](https://www.chemicalbook.com/Spectrum/4588-18-5_MS.gif)
Mass
MS-NW-3492
2-methyl-1-octene
C9H18 (Mass of molecular ion: 126)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 10.1
28.0 1.6
29.0 13.1
39.0 11.4
40.0 2.8
41.0 31.0
42.0 11.1
43.0 20.5
51.0 1.1
53.0 4.6
54.0 2.0
55.0 27.4
56.0 100.0
57.0 21.4
58.0 1.9
67.0 3.3
68.0 3.1
69.0 24.8
70.0 9.9
71.0 2.1
83.0 3.4
84.0 3.1
85.0 1.1
98.0 2.4
111.0 2.8
126.0 8.3
90 MHz in CDCl3
400 MHz in CDCl3
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![图谱](https://www.chemicalbook.com/Spectrum/4588-18-5_1HNMR.gif)
1H NMR |
89.56 MHz |
C9 H18
|
0.04 ml : 0.5 ml CDCl3
|
2-methyl-1-octene
|
![ChemicalStructure](Spectrum/4588-18-5_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 4.68 to 4.65
B 2.00
C 1.70
D 1.62 to 1.06
E 0.89
|
Hz ppm Int.
421.25 4.704 58
419.13 4.680 331
418.25 4.671 435
417.81 4.666 387
417.25 4.659 433
416.25 4.648 255
413.69 4.620 45
186.00 2.077 61
184.88 2.065 58
184.19 2.057 58
183.88 2.054 59
179.13 2.001 155
175.25 1.957 69
172.50 1.927 121
172.38 1.925 121
153.88 1.719 578
152.88 1.708 1000
152.56 1.704 984
152.00 1.698 694
151.56 1.693 750
141.63 1.582 39
141.13 1.576 40
140.81 1.573 41
139.69 1.560 33
139.38 1.557 33
139.06 1.553 33
138.19 1.543 35
137.75 1.539 37
137.25 1.533 38
134.38 1.501 74
132.56 1.481 74
129.38 1.445 99
129.06 1.442 100
126.88 1.417 124
123.13 1.375 179
122.31 1.366 191
116.25 1.299 761
104.25 1.165 69
100.94 1.128 36
90.13 1.007 39
89.69 1.002 40
86.63 0.968 110
84.69 0.946 171
82.50 0.922 134
79.44 0.888 579
73.38 0.820 120
72.13 0.806 93
69.31 0.774 40
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![图谱](https://www.chemicalbook.com/Spectrum/4588-18-5_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C9 H18
|
0.04 ml : 0.5 ml CDCl3
|
2-methyl-1-octene
|
![ChemicalStructure](Spectrum/4588-18-5_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A *1 4.68
B *1 4.66
C 1.999
D 1.707
E 1.42
F 1.37 to 1.240
G 0.888
|
Hz ppm Int.
1875.00 4.692 71
1874.27 4.690 109
1873.54 4.688 160
1872.80 4.687 185
1872.07 4.685 222
1871.22 4.683 255
1870.48 4.681 238
1869.75 4.679 228
1869.02 4.677 161
1868.29 4.675 102
1865.97 4.670 64
1865.11 4.667 132
1863.89 4.664 249
1862.92 4.662 272
1861.69 4.659 225
1860.60 4.656 181
1859.25 4.653 91
806.64 2.019 181
799.32 2.001 267
791.50 1.981 197
694.21 1.738 38
693.24 1.735 41
692.75 1.734 42
691.53 1.731 39
691.04 1.730 39
683.47 1.711 790
682.62 1.709 989
682.13 1.707 1000
681.64 1.706 874
681.15 1.705 882
582.03 1.457 47
579.59 1.451 51
575.07 1.439 110
574.10 1.437 111
572.63 1.433 102
568.24 1.422 153
567.38 1.420 151
566.53 1.418 142
564.70 1.413 113
562.99 1.409 97
561.77 1.406 106
559.94 1.402 128
559.08 1.399 107
555.30 1.390 54
552.98 1.384 63
543.82 1.361 32
541.99 1.357 34
541.02 1.354 36
539.06 1.349 50
538.57 1.348 50
532.59 1.333 99
531.86 1.331 100
525.63 1.316 196
524.90 1.314 193
520.51 1.303 313
518.19 1.297 358
513.55 1.285 623
511.11 1.279 731
508.79 1.274 294
507.45 1.270 227
504.03 1.262 123
361.57 0.905 301
358.52 0.898 198
354.86 0.888 943
349.37 0.875 134
347.90 0.871 338