異丙基苯(98-82-8)Raman光譜
InChI:InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
Smiles:C1(C(C)C)=CC=CC=C1
-
Mass
MS-NW-0138
cumene
C9H12 (Mass of molecular ion: 120)
Source Temperature: 210 °C
Sample Temperature: 75 °C
Reservoir, 75 eV
27.0 3.7
28.0 1.2
39.0 5.6
41.0 3.4
50.0 2.9
51.0 9.3
52.0 2.6
53.0 1.2
63.0 2.4
65.0 2.5
74.0 1.0
76.0 1.0
77.0 13.7
78.0 5.5
79.0 11.9
91.0 5.8
102.0 1.1
103.0 7.4
104.0 2.8
105.0 100.0
106.0 9.0
115.0 1.0
119.0 1.0
120.0 26.6
121.0 2.6
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C9 H12
|
10.6 mol% in CDCl3
|
| cumene
|
 |
Assign. Shift(ppm)
A 1.240
B 2.876
C 7.02 to 7.39
|
Hz ppm Int.
651.38 7.274 63
649.69 7.255 111
646.44 7.218 558
644.69 7.199 155
643.75 7.188 120
643.06 7.181 67
642.50 7.174 61
258.06 2.882 57
114.31 1.277 1000
107.44 1.200 862
-
| 1H NMR |
399.65 MHz |
| C9 H12
|
17.5 mg : 0.5 ml CDCl3
|
| cumene
|
|
Assign. Shift(ppm)
A 7.289
B 7.231
C 7.179
D 2.901
E 1.253
|
Hz ppm Int.
2922.24 7.312 40
2916.50 7.298 34
2915.65 7.296 74
2914.92 7.294 99
2909.42 7.280 37
2907.71 7.276 104
2906.01 7.272 31
2894.41 7.243 91
2893.92 7.242 98
2892.58 7.238 133
2890.63 7.233 35
2890.14 7.232 32
2888.18 7.227 44
2887.33 7.225 38
2886.72 7.224 42
2886.11 7.222 71
2885.50 7.221 69
2884.64 7.218 57
2876.10 7.197 32
2874.76 7.194 43
2867.68 7.176 65
1166.87 2.920 32
1159.91 2.903 44
1152.95 2.885 34
504.39 1.263 1000
502.20 1.257 48
500.61 1.253 32
497.56 1.245 975
495.24 1.240 49