顺-3-辛烯(14850-22-7)质谱(MS)
InChI:InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-
InChIKey: YCTDZYMMFQCTEO-ALCCZGGFSA-N
Smiles:CC/C=C\CCCC
-
Mass
MS-NW-3494
cis-3-octene
C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.6
26.0 1.9
27.0 25.0
28.0 3.9
29.0 18.8
38.0 1.9
39.0 26.0
40.0 5.0
41.0 100.0
42.0 37.5
43.0 17.7
50.0 2.0
51.0 3.7
52.0 1.8
53.0 11.1
54.0 7.5
55.0 95.4
56.0 53.5
57.0 16.4
58.0 1.2
63.0 1.1
65.0 2.3
66.0 1.1
67.0 10.3
68.0 6.6
69.0 47.1
70.0 48.4
71.0 6.4
77.0 1.6
79.0 1.7
81.0 2.7
82.0 2.0
83.0 24.1
84.0 7.4
85.0 1.5
97.0 1.9
112.0 35.8
113.0 3.4
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C8 H16
|
0.05 ml : 0.5 ml CDCl3
|
| cis-3-octene
|
 |
Assign. Shift(ppm)
A *1 5.35
B *1 5.32
C 2.05
D 2.02
E 1.34
F 1.31
G 0.955
J 0.90
ASSIGNED BY H-H COSY.
|
Hz ppm Int.
2153.56 5.389 37
2147.22 5.373 58
2143.80 5.365 64
2142.70 5.362 100
2142.09 5.360 92
2136.47 5.346 333
2134.64 5.342 96
2132.81 5.337 102
2130.98 5.333 337
2125.37 5.319 83
2124.63 5.317 91
2123.54 5.314 51
2120.24 5.306 51
2113.77 5.290 32
831.91 2.082 30
828.98 2.075 77
828.37 2.073 67
821.41 2.056 238
818.48 2.048 127
815.67 2.041 280
814.21 2.038 358
811.16 2.030 173
808.11 2.023 310
800.66 2.004 133
548.10 1.372 32
545.65 1.366 40
543.95 1.362 55
541.38 1.355 70
537.84 1.346 186
535.64 1.341 186
533.94 1.337 256
532.10 1.332 259
530.64 1.328 536
527.10 1.319 345
523.44 1.310 311
520.14 1.302 118
518.55 1.298 88
517.46 1.295 70
516.97 1.294 68
515.14 1.289 55
512.94 1.284 35
388.79 0.973 524
386.35 0.967 77
381.35 0.955 1000
377.69 0.946 88
376.34 0.942 94
373.78 0.936 545
370.24 0.927 107
368.53 0.923 105
367.19 0.919 116
365.72 0.916 287
363.40 0.910 177
362.55 0.908 188
360.35 0.902 264
358.64 0.898 670
356.57 0.893 189
355.22 0.889 190
354.49 0.888 163
353.64 0.885 169
351.44 0.880 208
349.00 0.874 70
347.66 0.870 52
345.34 0.865 34
-
| 1H NMR |
89.56 MHz |
| C8 H16
|
0.04 ml : 0.5 ml CDCl3
|
| cis-3-octene
|
|
Assign. Shift(ppm)
A *1 5.35
B *1 5.32
C 2.07
D 1.97
E 1.36
F 1.26
G 0.95
J 0.90
|
Hz ppm Int.
483.75 5.402 129
483.38 5.398 142
481.69 5.379 120
479.88 5.359 99
478.06 5.338 374
476.00 5.315 96
474.31 5.297 128
472.44 5.276 156
197.25 2.203 36
196.50 2.195 37
192.38 2.149 44
190.75 2.130 75
189.63 2.118 111
189.19 2.113 119
187.75 2.097 75
186.81 2.086 76
186.13 2.079 91
184.00 2.055 191
183.19 2.046 172
182.38 2.037 186
181.75 2.030 178
181.38 2.026 171
179.44 2.004 151
178.69 1.996 140
177.88 1.987 130
177.31 1.980 149
176.63 1.973 157
176.06 1.966 159
174.75 1.952 93
173.88 1.942 95
172.94 1.931 73
172.19 1.923 75
171.56 1.916 65
169.75 1.896 49
169.06 1.888 60
168.75 1.885 58
130.19 1.454 30
127.94 1.429 71
124.81 1.394 154
123.75 1.382 170
122.38 1.367 124
121.63 1.359 153
120.63 1.347 241
119.25 1.332 150
118.19 1.320 234
117.00 1.307 253
116.50 1.301 253
115.69 1.292 169
114.63 1.280 148
113.06 1.263 172
111.44 1.245 93
110.13 1.230 129
108.50 1.212 49
107.88 1.205 44
106.69 1.192 42
98.50 1.100 31
93.13 1.040 301
92.63 1.035 404
89.44 0.999 39
87.63 0.979 140
86.50 0.966 242
85.38 0.954 1000
83.63 0.934 165
82.94 0.927 147
81.94 0.915 156
80.25 0.897 468
78.19 0.874 292
77.63 0.867 347
77.00 0.860 241
75.44 0.843 100
74.88 0.837 98
74.25 0.830 109
72.81 0.813 104
72.31 0.808 70
71.31 0.797 49
70.19 0.784 50