2-異丙基苯酚(88-69-7)紅外圖譜(IR1)
InChI:InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChIKey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
Smiles:C1(O)=CC=CC=C1C(C)C
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Mass
MS-NW-5377
o-isopropylphenol
C9H12O (Mass of molecular ion: 136)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 3.3
28.0 1.3
38.0 1.3
39.0 7.7
40.0 1.0
41.0 3.4
50.0 1.8
51.0 5.2
52.0 1.4
53.0 1.8
55.0 1.3
60.5 1.6
62.0 1.0
63.0 2.9
65.0 5.1
66.0 1.4
67.0 1.2
75.0 1.1
77.0 16.2
78.0 2.3
79.0 1.3
89.0 1.1
91.0 11.8
92.0 1.7
93.0 5.6
94.0 1.7
95.0 1.0
102.0 1.7
103.0 21.1
104.0 2.1
107.0 2.8
115.0 2.1
119.0 1.1
120.0 1.6
121.0 100.0
122.0 9.0
136.0 36.4
137.0 3.9
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H12 O
|
10.9 mg : 0.5 ml CDCl3
|
| o-isopropylphenol
|
 |
Assign. Shift(ppm)
A 7.206
B 7.068
C 6.918
D 6.741
E 4.76
F 3.211
G 1.258
|
Hz ppm Int.
2884.89 7.219 44
2883.30 7.215 46
2877.32 7.200 50
2875.61 7.196 52
2833.62 7.091 32
2831.91 7.086 31
2826.17 7.072 51
2824.58 7.068 48
2818.36 7.053 47
2816.65 7.048 43
2772.58 6.938 37
2772.22 6.937 38
2771.36 6.935 40
2764.89 6.919 59
2763.67 6.916 58
2698.24 6.752 70
2697.14 6.749 66
2690.31 6.732 62
2689.21 6.729 58
1290.53 3.230 34
1283.69 3.213 47
1276.86 3.195 36
506.10 1.267 998
503.91 1.261 42
499.27 1.250 1000
497.07 1.244 41
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| 1H NMR |
89.56 MHz |
| C9 H12 O
|
0.04 ml : 0.5 ml CDCl3
|
| o-isopropylphenol
|
|
Assign. Shift(ppm)
A 7.19
B 7.04
C 6.92
D 6.71
E 4.70
F 3.20
G 1.249
|
Hz ppm Int.
649.44 7.252 40
647.75 7.233 34
647.19 7.227 44
642.56 7.175 62
640.13 7.148 90
638.81 7.133 31
633.50 7.074 82
631.31 7.050 62
626.31 6.994 119
624.94 6.978 72
623.88 6.967 88
622.94 6.956 96
617.56 6.896 53
616.06 6.879 55
604.94 6.755 95
603.00 6.733 103
597.88 6.676 45
597.13 6.668 44
595.81 6.653 48
420.63 4.697 63
294.19 3.285 36
287.31 3.209 51
280.50 3.132 42
115.13 1.286 1000
112.94 1.262 60
111.25 1.243 51
110.38 1.233 49
108.25 1.209 901