Product Name4-Isopropylphenol
CAS99-89-8
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
InChIKey YQUQWHNMBPIWGK-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(C)C)C=C1

Mass
MS-NW-1636 p-isopropylphenol C9H12O (Mass of molecular ion: 136)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 4.4
38.0 1.5
39.0 10.5
40.0 1.4
41.0 5.2
50.0 1.9
51.0 4.9
52.0 1.3
53.0 2.2
55.0 2.6
59.0 1.0
60.5 1.4
62.0 1.3
63.0 3.5
64.0 1.1
65.0 7.8
66.0 1.9
77.0 18.1
78.0 2.4
79.0 1.5
89.0 1.0
91.0 14.0
92.0 2.0
93.0 6.3
94.0 2.3
95.0 1.7
103.0 12.8
104.0 1.2
107.0 3.2
119.0 1.9
120.0 2.7
121.0 100.0
122.0 8.9
135.0 1.2
136.0 30.1
137.0 3.1
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C9 H12 O | 14.1 mg : 0.5 ml CDCl3 |
| p-isopropylphenol | |
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Assign. Shift(ppm) |
Hz ppm Int.
2840.94 7.109 161
2840.45 7.108 164
2838.75 7.104 64
2833.98 7.092 67
2832.28 7.087 202
2829.35 7.080 31
2711.30 6.785 26
2708.37 6.777 230
2706.18 6.772 78
2701.78 6.761 72
2699.71 6.756 202
2696.78 6.748 28
1145.14 2.866 44
1138.18 2.848 60
1131.35 2.831 47
493.77 1.236 21
489.01 1.224 1000
486.94 1.219 87
482.18 1.207 974
in CDCl3

CCl4 solution

KBr disc

nujol mull


4-Isopropylphenol(99-89-8) IR2 Atlas of Related Products
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