癸基苯(104-72-3)核磁圖(13CNMR)
InChI:InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
InChIKey: UZILCZKGXMQEQR-UHFFFAOYSA-N
Smiles:C1(CCCCCCCCCC)=CC=CC=C1
-
Mass
MS-NW-1016
decylbenzene
C16H26 (Mass of molecular ion: 218)
Source Temperature: 260 °C
Sample Temperature: 130 °C
Reservoir, 75 eV
18.0 1.0
27.0 3.5
29.0 6.0
39.0 3.2
41.0 10.0
42.0 1.9
43.0 15.9
51.0 1.3
55.0 4.7
56.0 1.7
57.0 7.4
65.0 3.9
69.0 1.4
70.0 1.2
71.0 4.9
77.0 2.7
78.0 4.3
79.0 2.5
82.0 1.7
83.0 2.5
85.0 2.5
91.0 63.6
92.0 100.0
93.0 7.8
103.0 1.2
104.0 4.0
105.0 8.8
106.0 1.9
117.0 1.7
119.0 2.5
120.0 1.6
121.0 1.4
133.0 6.6
134.0 2.0
147.0 1.0
218.0 19.1
219.0 3.3
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C16 H26
|
0.04 ml : 0.5 ml CDCl3
|
| decylbenzene
|
 |
Assign. Shift(ppm)
A 7.47 to 6.98
B 2.58
C 1.60
D 1.26
E 0.88
|
Hz ppm Int.
654.56 7.309 31
652.69 7.288 42
650.06 7.259 79
647.75 7.233 68
645.50 7.208 429
644.13 7.193 440
640.38 7.151 61
637.94 7.124 43
636.63 7.109 42
239.88 2.679 50
233.06 2.603 99
225.00 2.513 92
145.31 1.623 33
145.06 1.620 33
144.81 1.617 33
142.50 1.592 38
142.31 1.589 38
139.81 1.562 30
135.88 1.518 34
112.88 1.261 1000
83.75 0.936 72
81.00 0.905 57
78.63 0.878 217
74.31 0.830 34
72.56 0.811 50
-
| 1H NMR |
399.65 MHz |
| C16 H26
|
15.2 mg : 0.5 ml CDCl3
|
| decylbenzene
|
|
Assign. Shift(ppm)
A 7.27
B 7.18
C 7.18
D 2.596
E 1.604
F 1.30
G 1.26
J 0.878
|
Hz ppm Int.
2913.57 7.291 117
2911.87 7.287 50
2908.20 7.277 79
2906.25 7.272 210
2905.27 7.270 247
2902.71 7.264 34
2901.37 7.260 65
2898.68 7.254 246
2896.12 7.247 187
2872.07 7.187 449
2869.38 7.180 88
2864.75 7.169 321
2858.76 7.154 52
2857.54 7.151 63
1045.41 2.616 159
1037.60 2.597 191
1029.91 2.578 174
651.00 1.629 52
649.54 1.626 67
648.56 1.623 61
647.71 1.621 58
645.63 1.616 55
642.21 1.607 100
639.89 1.602 71
638.18 1.597 58
637.45 1.596 58
636.84 1.594 65
634.52 1.588 81
627.69 1.571 34
627.08 1.570 37
538.45 1.348 41
537.48 1.345 50
536.74 1.344 55
536.38 1.343 57
535.64 1.341 60
534.79 1.339 62
534.06 1.337 65
531.25 1.330 100
524.66 1.313 204
524.05 1.312 203
523.68 1.311 203
520.51 1.303 273
518.80 1.299 246
515.01 1.289 183
513.06 1.284 198
512.45 1.283 198
510.62 1.278 219
502.69 1.258 1000
490.23 1.227 70
489.87 1.226 67
488.28 1.222 58
487.79 1.221 56
486.21 1.217 43
485.23 1.215 38
484.50 1.213 35
357.79 0.896 190
351.20 0.879 576
348.75 0.873 86
344.12 0.862 230