Molecular FormulaC7H8O
Molecular Weight108.14
InChIInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey QWVGKYWNOKOFNN-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1C
Mass
MS-NW-6819 o-cresol C7H8O (Mass of molecular ion: 108)
Source Temperature: 260 °C Sample Temperature: 200 °C Reservoir, 75 eV
26.0 1.5 27.0 6.3 28.0 1.0 29.0 1.1 37.0 1.7 38.0 3.2 39.0 10.9 39.5 1.1 40.0 1.8 43.0 1.2 50.0 5.4 51.0 9.7 52.0 4.9 53.0 6.8 53.5 1.9 54.0 3.6 55.0 1.9 61.0 1.0 62.0 1.9 63.0 4.3 64.0 1.5 65.0 2.6 66.0 1.6 74.0 1.4 77.0 22.1 78.0 6.5 79.0 25.4 80.0 10.3 81.0 1.5 89.0 8.4 90.0 20.8 91.0 6.3 94.0 1.2 107.0 67.4 108.0 100.0 109.0 8.0
400 MHz in CDCl3
90 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H8 O | 15.6 mg : 0.5 ml CDCl3 |
o-cresol |
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Assign. Shift(ppm) |
Hz ppm Int.
2849.12 7.130 92 2848.51 7.128 96 2841.67 7.111 109 2841.06 7.109 114 2837.40 7.100 60 2836.91 7.099 59 2836.30 7.097 48 2835.69 7.096 50 2835.21 7.095 44 2829.96 7.082 100 2829.47 7.080 119 2828.86 7.079 102 2828.37 7.078 97 2827.76 7.076 95 2822.02 7.062 72 2821.53 7.061 70 2820.92 7.059 57 2820.31 7.057 63 2819.82 7.056 51 2744.38 6.867 81 2744.02 6.867 80 2743.16 6.864 82 2736.94 6.849 139 2735.72 6.846 138 2729.49 6.830 65 2729.13 6.829 62 2728.27 6.827 63 2706.18 6.772 150 2705.81 6.771 140 2705.44 6.770 132 2698.24 6.752 136 1919.68 4.804 268 898.44 2.249 1000
1H NMR | 89.56 MHz |
C7 H8 O | 0.035 g : 0.5 ml CDCl3 |
o-cresol |
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Assign. Shift(ppm) |
Hz ppm Int.
642.00 7.169 73 641.31 7.161 87 640.50 7.152 97 639.94 7.146 88 633.63 7.075 232 627.19 7.004 119 626.75 6.999 116 625.13 6.981 61 624.56 6.974 56 619.25 6.915 96 617.63 6.897 151 613.06 6.846 59 610.81 6.821 134 607.69 6.786 179 604.81 6.754 80 603.31 6.737 38 600.00 6.700 100 598.44 6.683 51 428.63 4.786 135 200.25 2.236 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,powder
o-Cresol(95-48-7) Raman Atlas of Related Products
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