對-甲乙苯(622-96-8)紅外圖譜(IR1)
InChI:InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N
Smiles:C1(CC)=CC=C(C)C=C1
-
Mass
MS-NW-3453
p-ethyltoluene
C9H12 (Mass of molecular ion: 120)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 2.4
39.0 4.8
41.0 1.5
50.0 1.8
51.0 4.1
52.0 1.3
53.0 1.6
58.0 1.1
59.0 1.4
62.0 1.1
63.0 2.8
65.0 4.0
77.0 8.6
78.0 3.1
79.0 5.7
89.0 1.3
91.0 8.8
92.0 1.8
102.0 1.0
103.0 5.6
104.0 2.8
105.0 100.0
106.0 9.0
115.0 2.1
117.0 2.3
119.0 3.3
120.0 28.7
121.0 3.0
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
|
| p-ethyltoluene
|
 |
Assign. Shift(ppm)
A 7.08
B 2.59
C 2.303
D 1.215
|
Hz ppm Int.
633.69 7.076 1000
244.38 2.729 37
236.69 2.643 126
229.13 2.559 142
221.69 2.476 55
206.25 2.303 638
115.81 1.294 193
108.38 1.211 362
100.69 1.125 149
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| 1H NMR |
399.65 MHz |
| C9 H12
|
20.5 mg : 0.5 ml CDCl3
|
| p-ethyltoluene
|
|
Assign. Shift(ppm)
A 7.22 to 6.960
B 2.606
C 2.313
D 1.216
|
Hz ppm Int.
2834.23 7.092 1000
1052.86 2.635 47
1045.29 2.616 137
1037.72 2.597 139
1030.15 2.578 49
924.56 2.314 578
493.65 1.236 246
486.08 1.217 485
478.39 1.198 233