2-乙基对二甲苯(1758-88-9)质谱(MS)
InChI:InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKey: AXIUBBVSOWPLDA-UHFFFAOYSA-N
Smiles:C1(C)=CC=C(C)C=C1CC
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Mass
MS-NW-3488
2-ethyl-p-xylene
C10H14 (Mass of molecular ion: 134)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 2.3
39.0 3.8
41.0 3.6
50.0 1.2
51.0 3.1
52.0 1.0
53.0 1.8
63.0 1.9
64.0 1.0
65.0 3.5
66.0 1.1
77.0 6.3
78.0 2.3
79.0 3.1
91.0 12.3
92.0 1.3
93.0 1.3
103.0 3.9
104.0 2.8
105.0 11.9
106.0 2.3
115.0 4.4
116.0 1.6
117.0 6.1
118.0 2.2
119.0 100.0
120.0 10.2
133.0 3.1
134.0 33.3
135.0 3.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C10 H14
|
0.05 ml : 0.5 ml CDCl3
|
| 2-ethyl-p-xylene
|
 |
Assign. Shift(ppm)
A 6.995
B 6.949
C 6.888
D 2.567
E *1 2.281
F *1 2.236
G 1.181
|
Hz ppm Int.
2803.22 7.015 73
2799.56 7.006 157
2791.75 6.986 183
2776.86 6.949 183
2756.71 6.898 118
2749.15 6.879 83
2747.92 6.876 75
1036.99 2.595 110
1029.42 2.576 301
1021.85 2.557 302
1014.28 2.538 111
911.62 2.282 784
900.76 2.254 67
893.68 2.237 764
887.33 2.221 40
886.72 2.219 40
883.30 2.211 43
479.37 1.200 561
471.80 1.181 1000
464.23 1.162 519
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| 1H NMR |
89.56 MHz |
| C10 H14
|
0.04 ml : 0.5 ml CDCl3
|
| 2-ethyl-p-xylene
|
|
Assign. Shift(ppm)
A 7.18 to 6.76
B 2.570
C *1 2.28
D *1 2.245
E 1.188
|
Hz ppm Int.
631.81 7.055 63
623.63 6.964 347
622.69 6.953 309
620.50 6.929 281
612.69 6.842 40
611.06 6.823 33
242.19 2.705 79
234.63 2.620 265
227.13 2.537 294
219.69 2.453 120
204.31 2.282 880
201.06 2.245 1000
113.44 1.267 435
106.06 1.185 874
98.38 1.099 332