2-乙基甲苯(鄰甲乙苯)(611-14-3)核磁圖(13CNMR)
InChI:InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKey: HYFLWBNQFMXCPA-UHFFFAOYSA-N
Smiles:C1(CC)=CC=CC=C1C
-
Mass
MS-NW-3366
o-ethyltoluene
C9H12 (Mass of molecular ion: 120)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Direct, 75 eV
27.0 2.4
39.0 4.7
41.0 1.6
50.0 1.6
51.0 4.2
52.0 1.2
53.0 1.6
57.5 1.0
58.0 1.1
59.0 1.2
63.0 2.8
65.0 4.2
77.0 9.1
78.0 3.2
79.0 7.3
89.0 1.4
91.0 10.3
92.0 2.3
103.0 5.9
104.0 2.8
105.0 100.0
106.0 9.2
115.0 2.4
117.0 2.5
119.0 2.5
120.0 31.9
121.0 3.2
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C9 H12
|
0.04 ml : 0.5 ml CDCl3
|
| o-ethyltoluene
|
 |
Assign. Shift(ppm)
A 7.22 to 7.02
B 2.610
C 2.292
D 1.20
|
Hz ppm Int.
640.19 7.149 39
637.38 7.117 684
635.50 7.096 157
633.88 7.078 49
632.75 7.066 47
245.94 2.747 43
238.19 2.660 169
230.69 2.576 191
223.31 2.494 66
205.25 2.292 1000
114.88 1.283 265
107.56 1.201 611
107.13 1.197 395
105.31 1.176 31
99.81 1.115 200
-
| 1H NMR |
399.65 MHz |
| C9 H12
|
0.05 ml : 0.5 ml CDCl3
|
| o-ethyltoluene
|
|
Assign. Shift(ppm)
A 7.15 to 7.050
B 2.601
C 2.278
D 1.191
|
Hz ppm Int.
2853.88 7.141 39
2849.85 7.131 284
2848.51 7.128 350
2845.21 7.120 330
2843.26 7.115 246
2837.65 7.101 172
2836.43 7.098 252
2833.01 7.089 185
2829.96 7.082 84
2829.47 7.080 82
2828.13 7.077 137
2825.68 7.071 84
2823.49 7.065 40
2820.07 7.057 56
2819.46 7.055 104
2817.38 7.050 31
1051.03 2.630 128
1043.46 2.611 344
1035.89 2.592 344
1028.32 2.574 127
910.64 2.279 927
910.28 2.278 926
483.64 1.211 612
476.07 1.192 1000
468.51 1.173 583