p-Cresol(106-44-5) 1H NMR
Molecular FormulaC7H8O
Molecular Weight108.14
InChIInChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey IWDCLRJOBJJRNH-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C)C=C1
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MassMS-NW-6139 p-cresol C7H8O (Mass of molecular ion: 108)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.0 26.0 1.6 27.0 7.2 29.0 1.1 37.0 1.2 38.0 2.5 39.0 8.5 40.0 1.4 43.0 1.1 49.0 1.0 50.0 5.0 51.0 8.7 52.0 4.5 53.0 7.1 53.5 1.0 54.0 3.2 55.0 2.5 62.0 1.6 63.0 3.5 65.0 2.1 66.0 1.0 77.0 18.6 78.0 4.4 79.0 16.1 80.0 6.8 81.0 1.5 89.0 1.9 90.0 8.1 91.0 4.1 107.0 93.4 108.0 100.0 109.0 7.8
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 O 0.048 g : 0.5 ml CDCl3 p-cresol 
Assign. Shift(ppm)
A 7.002 B 6.721 C 5.20 D 2.254
Hz ppm Int.635.75 7.099 24 633.00 7.068 150 632.38 7.061 169 630.81 7.044 73 630.13 7.036 59 626.63 6.997 70 626.00 6.990 80 624.31 6.971 308 623.69 6.964 279 621.75 6.943 52 621.13 6.936 46 607.81 6.787 56 605.13 6.757 433 602.88 6.732 113 598.69 6.685 82 596.56 6.662 231 593.63 6.629 27 465.94 5.203 156 201.88 2.255 1000
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1H NMR 399.65 MHz C7 H8 O 20.4 mg : 0.5 ml CDCl3 p-cresol Assign. Shift(ppm)
A 7.028 B 6.731 C 5.10 D 2.267
Hz ppm Int.2813.72 7.041 224 2812.99 7.039 252 2812.38 7.038 156 2811.52 7.035 97 2810.79 7.034 77 2807.25 7.025 81 2806.52 7.023 101 2805.79 7.021 169 2805.05 7.019 292 2804.44 7.018 264 2802.25 7.012 38 2801.51 7.010 34 2696.78 6.748 38 2693.85 6.741 386 2691.65 6.736 115 2687.38 6.725 107 2685.42 6.720 314 2682.37 6.712 37 2036.25 5.096 404 906.01 2.268 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
4880 A,200 M,powder
