2-Isopropylphenol(88-69-7) 1H NMR
Product Name2-Isopropylphenol
CAS88-69-7
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChIKey CRBJBYGJVIBWIY-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1C(C)C
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MassMS-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
in CDCl3
liquid film
