2,4-已二烯(5194-50-3)紅外圖譜(IR1)
InChI:InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4+
InChIKey: APPOKADJQUIAHP-CIIODKQPSA-N
Smiles:C/C=C/C=C\C
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Mass
MS-NW-3426
cis-2,trans-4-hexadiene
C6H10 (Mass of molecular ion: 82)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.2
26.0 2.2
27.0 13.5
28.0 1.2
29.0 3.4
37.0 1.6
38.0 3.3
39.0 29.1
40.0 5.6
41.0 35.2
42.0 5.9
50.0 4.9
51.0 7.2
52.0 3.8
53.0 17.7
54.0 17.0
55.0 6.7
56.0 1.2
63.0 2.1
65.0 9.5
66.0 4.3
67.0 100.0
68.0 5.7
77.0 4.1
78.0 1.0
79.0 10.4
80.0 1.5
81.0 12.8
82.0 51.7
83.0 3.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H10
|
0.05 ml : 0.5 ml CDCl3
|
| cis-2,trans-4-hexadiene
|
 |
Assign. Shift(ppm)
A 6.340
B 5.957
C 5.651
D 5.342
E 1.769
F 1.719
90MHZ : HSP-03-318
ASSIGNED BY C-H AND H-H COSY.
|
Hz ppm Int.
2551.27 6.384 41
2549.68 6.380 120
2548.10 6.376 156
2546.88 6.373 127
2545.29 6.369 54
2540.28 6.357 49
2538.70 6.353 141
2537.11 6.349 186
2535.89 6.346 181
2534.55 6.342 184
2533.08 6.339 190
2531.86 6.336 151
2530.27 6.332 67
2525.27 6.319 54
2523.68 6.315 153
2522.09 6.311 200
2520.87 6.308 166
2519.29 6.304 75
2392.58 5.987 148
2392.09 5.986 150
2391.60 5.985 151
2391.11 5.984 154
2381.71 5.960 270
2381.23 5.959 272
2380.74 5.958 272
2380.00 5.956 280
2370.85 5.933 140
2370.36 5.932 144
2369.87 5.930 144
2369.38 5.929 146
2369.02 5.928 146
2276.86 5.698 79
2270.14 5.681 230
2263.43 5.664 245
2255.62 5.644 218
2255.13 5.643 226
2248.41 5.626 211
2241.70 5.610 77
2150.88 5.382 64
2144.53 5.367 170
2143.80 5.365 187
2141.11 5.358 71
2140.01 5.355 77
2139.28 5.353 80
2138.55 5.352 119
2137.82 5.350 176
2137.45 5.349 182
2136.72 5.347 197
2134.89 5.342 121
2133.06 5.338 183
2130.74 5.332 89
2130.37 5.331 86
2129.64 5.329 86
2128.91 5.327 70
2125.98 5.320 181
2118.90 5.302 66
710.94 1.779 962
710.45 1.778 969
709.84 1.777 961
709.35 1.775 902
704.22 1.763 923
703.61 1.761 954
703.13 1.760 959
702.51 1.758 919
696.17 1.742 70
692.38 1.733 908
691.77 1.731 925
691.16 1.730 936
690.55 1.728 972
685.30 1.715 896
684.69 1.714 929
684.08 1.712 946
683.47 1.711 1000
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| 1H NMR |
89.56 MHz |
| C6 H10
|
0.04 ml : 0.5 ml CDCl3
|
| cis-2,trans-4-hexadiene
|
|
Assign. Shift(ppm)
A 6.36
B 6.01
C 5.60
D 5.34
E 1.77
F 1.73
ASSIGNED BY C-H COSY.
|
Hz ppm Int.
583.56 6.516 53
582.81 6.508 55
582.06 6.500 55
581.25 6.491 46
572.94 6.398 84
572.13 6.389 89
571.44 6.381 95
570.69 6.373 92
569.50 6.359 70
568.69 6.350 92
568.13 6.344 81
567.13 6.333 93
565.69 6.317 37
559.50 6.248 51
558.06 6.232 161
557.56 6.226 161
556.56 6.215 180
555.25 6.200 79
544.44 6.080 121
543.00 6.063 125
541.50 6.047 46
534.06 5.964 175
532.44 5.946 175
522.94 5.839 124
516.38 5.766 166
509.81 5.693 170
502.88 5.616 85
502.31 5.609 90
501.56 5.601 98
494.94 5.527 126
488.00 5.449 126
487.31 5.442 132
486.56 5.433 103
484.25 5.407 33
483.69 5.401 35
482.88 5.392 34
481.00 5.371 96
480.25 5.363 116
479.63 5.356 103
477.38 5.331 74
476.69 5.323 92
476.00 5.315 77
473.31 5.285 53
472.69 5.278 44
472.13 5.272 37
470.44 5.253 75
469.75 5.246 98
469.06 5.238 77
463.50 5.176 30
462.88 5.169 37
162.25 1.812 650
161.63 1.805 631
158.50 1.770 692
156.94 1.753 1000
156.38 1.747 973
155.13 1.733 657
151.56 1.693 599
151.00 1.687 625
150.50 1.681 620