4-Isopropylphenol(99-89-8) 1H NMR
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
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MassMS-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
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1H NMR 399.65 MHz C9 H12 O 14.1 mg : 0.5 ml CDCl3 p-isopropylphenol 
Assign. Shift(ppm)
A 7.095 B 6.766 C 4.8 D 2.847 E 1.215
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
