Product NameTRANS-4-OCTENE
CAS14850-23-8
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey IRUCBBFNLDIMIK-BQYQJAHWSA-N
SmilesCCC/C=C/CCC

Mass
MS-NW-3367 trans-4-octene C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.1
27.0 15.9
28.0 1.9
29.0 14.2
39.0 16.4
40.0 2.5
41.0 78.0
42.0 25.2
43.0 11.6
50.0 1.1
51.0 2.3
52.0 1.1
53.0 6.5
54.0 7.2
55.0 100.0
56.0 43.4
57.0 11.9
65.0 1.5
67.0 7.7
68.0 3.8
69.0 32.3
70.0 42.3
71.0 4.5
77.0 1.2
79.0 1.2
81.0 2.0
82.0 1.9
83.0 28.8
84.0 7.0
97.0 1.4
112.0 33.3
113.0 3.2
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C8 H16 | 0.04 ml : 0.5 ml CDCl3 |
| trans-4-octene | |
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Assign. Shift(ppm) |
Hz ppm Int.
488.19 5.451 78
486.56 5.433 162
484.50 5.410 143
482.94 5.393 256
481.38 5.375 143
479.31 5.352 172
477.69 5.334 83
185.75 2.075 64
184.94 2.065 80
183.13 2.045 56
182.44 2.038 54
178.63 1.995 166
175.81 1.964 129
173.31 1.936 169
171.63 1.917 135
170.81 1.908 116
169.75 1.896 111
167.19 1.867 98
166.38 1.858 98
140.81 1.573 36
134.63 1.504 77
132.94 1.485 139
127.44 1.423 122
126.38 1.412 172
125.19 1.398 159
122.81 1.372 40
122.44 1.368 41
119.63 1.336 173
118.25 1.321 203
115.13 1.286 36
113.44 1.267 74
111.56 1.246 163
105.50 1.178 48
104.88 1.172 48
86.69 0.968 321
85.88 0.959 550
79.25 0.885 1000
72.75 0.813 157
71.69 0.801 261
70.06 0.783 133
in CDCl3

liquid film

4880 A,200 M,liquid

TRANS-4-OCTENE(14850-23-8) IR1 Atlas of Related Products
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