2,4,4-三甲基-1-戊烯(107-39-1)紅外圖譜(IR1)
InChI:InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N
Smiles:C=C(C)CC(C)(C)C
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Mass
MS-KW-0247
2,4,4-trimethyl-1-pentene
C8H16 (Mass of molecular ion: 112)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
27.0 5.6
28.0 1.8
29.0 17.2
39.0 8.3
40.0 1.3
41.0 33.6
42.0 1.4
43.0 2.2
53.0 2.4
55.0 23.6
56.0 17.7
57.0 100.0
58.0 4.4
69.0 5.4
97.0 9.9
112.0 9.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8H16
|
0.05 ml : 0.5 ml CDCl3
|
| 2,4,4-trimethyl-1-pentene
|
 |
Assign. Shift(ppm)
A 4.832
B 4.625
C 1.935
D 1.774
E 0.926
|
Hz ppm Int.
1934.82 4.840 41
1933.35 4.837 95
1931.89 4.833 106
1930.79 4.830 108
1929.33 4.826 94
1927.86 4.823 37
1851.32 4.631 64
1850.47 4.629 104
1849.61 4.627 112
1848.76 4.625 102
1847.91 4.623 105
1847.05 4.621 94
1846.20 4.618 55
773.81 1.936 316
772.95 1.934 299
710.09 1.777 352
709.11 1.774 356
708.50 1.773 348
707.65 1.771 324
370.00 0.926 1000
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| 1H NMR |
89.56 MHz |
| C8 H16
|
0.04 ml : 0.5 ml CDCl3
|
| 2,4,4-trimethyl-1-pentene
|
|
Assign. Shift(ppm)
A 4.83
B 4.63
C 1.94
D 1.78
E 0.926
|
Hz ppm Int.
434.69 4.854 22
433.31 4.839 27
432.06 4.825 33
430.63 4.809 28
415.81 4.643 30
415.00 4.634 31
414.13 4.625 27
413.25 4.615 26
412.38 4.605 22
173.75 1.941 120
160.00 1.787 115
159.13 1.777 137
158.56 1.771 126
157.75 1.762 107
82.94 0.927 1000