反-2-已烯(4050-45-7)核磁圖(1HNMR)
InChI:InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKey: RYPKRALMXUUNKS-HWKANZROSA-N
Smiles:C/C=C/CCC
-
Mass
MS-NW-3701
trans-2-hexene
C6H12 (Mass of molecular ion: 84)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.1
26.0 2.0
27.0 17.9
28.0 2.9
29.0 21.3
38.0 1.6
39.0 18.9
40.0 3.4
41.0 36.8
42.0 45.2
43.0 12.0
50.0 1.7
51.0 2.3
52.0 1.0
53.0 6.9
54.0 7.0
55.0 100.0
56.0 23.3
57.0 1.2
67.0 2.9
69.0 19.5
70.0 1.2
84.0 34.3
85.0 2.5
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H12
|
0.05 ml : 0.5 ml CDCl3
|
| trans-2-hexene
|
 |
Assign. Shift(ppm)
A 5.45
B 5.42
C 1.95
D 1.643
E 1.360
F 0.885
90MHZ:HSP-03-545
|
Hz ppm Int.
2170.41 5.431 91
2168.82 5.427 200
2167.36 5.424 134
2165.41 5.419 372
2163.70 5.414 252
2162.48 5.411 260
2161.13 5.408 139
2160.40 5.406 212
2158.69 5.402 56
2157.59 5.399 100
789.67 1.976 31
788.33 1.973 58
786.99 1.970 93
785.16 1.965 65
784.06 1.962 74
782.96 1.960 79
781.49 1.956 115
779.79 1.952 159
777.95 1.947 122
776.98 1.945 114
776.00 1.942 122
774.90 1.939 131
773.56 1.936 116
772.34 1.933 113
769.78 1.927 78
768.31 1.923 67
767.09 1.920 77
765.99 1.917 37
662.96 1.659 33
659.67 1.651 352
658.33 1.648 523
657.10 1.645 383
654.91 1.639 439
653.56 1.636 521
652.22 1.632 278
648.56 1.623 33
561.65 1.406 57
554.20 1.387 196
546.75 1.369 310
539.43 1.350 313
532.10 1.332 203
524.90 1.314 63
360.47 0.902 587
353.15 0.884 1000
345.70 0.866 492
-
| 1H NMR |
89.56 MHz |
| C6 H12
|
0.04 ml : 0.5 ml CDCl3
|
| trans-2-hexene
|
|
Assign. Shift(ppm)
A 5.44
B 5.37
C 1.93
D 1.64
E 1.37
F 0.89
|
Hz ppm Int.
490.56 5.478 124
489.13 5.462 213
486.31 5.430 440
484.06 5.405 429
483.50 5.399 371
481.31 5.375 309
479.06 5.350 157
184.38 2.059 50
183.44 2.049 85
180.19 2.012 81
179.44 2.004 84
177.00 1.977 151
174.06 1.944 147
172.88 1.931 149
171.44 1.915 131
170.38 1.903 151
168.25 1.879 125
167.56 1.871 122
165.94 1.853 70
164.56 1.838 105
162.69 1.817 66
150.50 1.681 359
149.25 1.667 733
148.00 1.653 515
147.00 1.642 468
145.81 1.629 546
144.56 1.615 744
143.88 1.607 267
143.25 1.600 348
141.25 1.578 43
140.31 1.567 67
139.63 1.560 71
135.00 1.508 43
133.69 1.493 88
132.31 1.478 245
131.13 1.465 76
126.88 1.417 136
125.56 1.402 202
124.50 1.391 196
120.19 1.343 92
119.06 1.330 186
117.50 1.312 322
115.75 1.293 42
112.94 1.262 80
111.63 1.247 103
110.81 1.238 213
104.94 1.172 65
104.19 1.164 74
86.56 0.967 353
85.69 0.957 598
84.81 0.947 415
79.00 0.883 1000
72.56 0.811 164
71.50 0.799 302
69.81 0.780 150