反-2-戊烯(646-04-8)核磁圖(13CNMR)
InChI:InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKey: QMMOXUPEWRXHJS-HWKANZROSA-N
Smiles:C/C=C/CC
-
Mass
MS-NW-4646
trans-2-pentene
C5H10 (Mass of molecular ion: 70)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.2
18.0 1.0
26.0 2.0
27.0 14.4
28.0 1.6
29.0 22.0
37.0 1.2
38.0 2.4
39.0 22.8
40.0 4.6
41.0 27.8
42.0 37.1
43.0 2.0
50.0 1.7
51.0 2.1
53.0 8.4
54.0 3.2
55.0 100.0
56.0 4.8
67.0 2.7
69.0 3.0
70.0 38.3
71.0 2.5
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C5 H10
|
0.04 ml : 0.5 ml CDCl3
|
| trans-2-pentene
|
 |
Assign. Shift(ppm)
A 5.47
B 5.40
C 1.97
D 1.637
E 0.960
400MHZ : HSP-41-074
|
Hz ppm Int.
492.69 5.502 83
491.63 5.490 159
489.19 5.463 127
487.94 5.449 374
486.81 5.436 225
484.38 5.409 282
483.25 5.396 203
482.13 5.384 43
479.50 5.354 88
478.69 5.345 34
469.13 5.239 30
191.44 2.138 34
189.25 2.114 34
186.63 2.084 36
185.75 2.075 46
184.50 2.061 79
183.50 2.049 101
181.88 2.031 85
181.25 2.024 75
179.56 2.005 81
178.56 1.994 94
176.94 1.976 100
175.75 1.963 135
174.75 1.952 99
174.13 1.945 70
173.44 1.937 65
172.31 1.924 100
170.88 1.908 79
169.63 1.895 60
168.69 1.884 55
168.31 1.880 57
167.06 1.866 32
165.56 1.849 36
164.31 1.835 32
163.44 1.825 38
163.00 1.821 36
151.31 1.690 71
150.38 1.680 315
149.00 1.664 597
147.63 1.649 477
145.56 1.626 567
144.25 1.611 602
142.88 1.596 261
92.81 1.037 489
85.75 0.958 1000
85.19 0.952 663
78.06 0.872 341
77.38 0.865 181
-
| 1H NMR |
399.65 MHz |
| C5 H10
|
0.05 ml : 0.5 ml CDCl3
|
| trans-2-pentene
|
|
Assign. Shift(ppm)
A 5.45
B 5.41
C 1.985
D 1.637
E 0.958
90MHZ : HSP-04-223
ASSIGNED BY C-H COSY.
|
Hz ppm Int.
2198.85 5.502 33
2192.99 5.488 58
2192.02 5.485 47
2187.26 5.473 31
2185.06 5.468 34
2183.72 5.465 82
2182.50 5.462 86
2178.96 5.453 78
2177.73 5.450 185
2176.88 5.447 220
2173.95 5.440 124
2172.85 5.437 136
2172.00 5.435 176
2169.07 5.428 271
2168.21 5.426 121
2164.18 5.416 128
2163.33 5.414 185
2162.23 5.411 97
2158.57 5.402 48
2157.35 5.399 63
2156.13 5.396 34
2153.81 5.390 55
2153.08 5.388 38
2148.93 5.378 34
2148.19 5.376 65
2147.09 5.373 40
807.25 2.020 65
805.91 2.017 45
799.93 2.002 198
798.46 1.998 132
797.00 1.995 64
796.39 1.993 68
794.92 1.990 145
793.58 1.986 176
792.48 1.983 245
790.89 1.979 153
789.55 1.976 66
788.94 1.975 68
787.48 1.971 140
786.13 1.968 137
785.03 1.965 148
783.57 1.961 81
781.49 1.956 30
780.03 1.952 53
778.69 1.949 46
777.83 1.947 36
777.47 1.946 37
659.30 1.650 293
657.96 1.647 489
656.62 1.643 513
655.27 1.640 325
653.20 1.635 317
651.86 1.632 624
650.51 1.628 444
390.14 0.977 675
387.57 0.970 31
382.69 0.958 1000
375.12 0.939 622