2-N-PROPYLPHENOL(644-35-9) 13C NMR
Product Name2-N-PROPYLPHENOL
CAS644-35-9
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKey LCHYEKKJCUJAKN-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1CCC
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MassMS-NW-3401 o-propylphenol C9H12O (Mass of molecular ion: 136)
Source Temperature: 290 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.1 39.0 4.8 41.0 1.0 50.0 1.7 51.0 3.6 52.0 1.8 53.0 2.4 63.0 1.9 65.0 2.4 77.0 16.0 78.0 3.6 79.0 7.4 91.0 3.6 94.0 1.4 107.0 100.0 108.0 7.7 115.0 1.8 136.0 25.6 137.0 2.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.04 ml : 0.5 ml CDCl3 o-propylphenol 
Assign. Shift(ppm)
A 7.09 B 7.07 C 6.82 D 6.73 E 4.85 F 2.57 G 1.63 J 0.96
Hz ppm Int.641.38 7.162 166 639.56 7.142 188 633.38 7.073 444 633.06 7.069 443 626.50 6.996 297 624.31 6.971 148 622.75 6.954 32 620.81 6.932 216 619.13 6.914 322 614.88 6.866 119 612.31 6.837 273 606.44 6.772 408 605.00 6.756 217 603.69 6.741 117 598.63 6.685 186 597.13 6.668 103 595.94 6.655 39 434.00 4.846 666 238.31 2.661 232 231.31 2.583 415 229.00 2.557 182 226.19 2.526 31 225.31 2.516 32 223.19 2.493 349 165.50 1.848 48 158.75 1.773 82 157.69 1.761 183 156.50 1.748 58 153.44 1.714 31 151.50 1.692 171 150.75 1.684 181 150.06 1.676 215 149.31 1.668 168 146.38 1.635 44 144.31 1.612 175 142.50 1.592 261 140.06 1.564 32 137.56 1.536 74 135.19 1.510 205 128.88 1.440 59 128.19 1.432 56 92.69 1.035 593 88.94 0.994 40 88.44 0.988 41 88.31 0.987 41 85.75 0.958 1000 81.19 0.907 39 80.63 0.901 36 78.25 0.874 352 77.19 0.862 202 75.75 0.846 33
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1H NMR 399.65 MHz C9 H12 O 10.6 mg : 0.5 ml CDCl3 o-propylphenol Assign. Shift(ppm)
A 7.118 B 7.080 C 6.872 D 6.759 E 4.73 F 2.582 G 1.647 J 0.975
Hz ppm Int.2849.49 7.130 110 2849.12 7.130 107 2847.78 7.126 131 2842.04 7.112 129 2841.67 7.111 126 2840.33 7.108 158 2838.01 7.102 92 2836.30 7.097 72 2830.57 7.083 160 2828.86 7.079 124 2822.63 7.063 109 2820.92 7.059 85 2753.91 6.891 109 2752.69 6.888 105 2746.46 6.873 186 2745.24 6.870 173 2739.01 6.854 84 2737.79 6.851 76 2705.44 6.770 182 2704.22 6.767 161 2697.51 6.750 161 2696.29 6.747 144 1890.01 4.730 44 1040.16 2.603 213 1032.59 2.584 253 1024.78 2.565 231 677.00 1.694 48 669.56 1.676 157 668.09 1.672 39 662.11 1.657 234 660.64 1.654 85 654.42 1.638 247 648.44 1.623 47 646.97 1.619 156 639.53 1.601 50 396.97 0.994 506 389.53 0.975 1000 382.20 0.957 444
in CDCl3
liquid film
4880 A,200 M,liquid
