2-Ethylphenol(90-00-6) IR2
Product Name2-Ethylphenol
CAS90-00-6
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey IXQGCWUGDFDQMF-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1CC
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MassMS-NW-0550 o-ethylphenol C8H10O (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.9 27.0 3.5 28.0 1.2 38.0 1.3 39.0 7.0 41.0 1.3 50.0 2.1 51.0 5.4 52.0 2.1 53.0 2.7 55.0 1.0 63.0 2.3 65.0 3.2 77.0 19.8 78.0 4.6 79.0 11.9 91.0 4.3 93.0 1.0 94.0 1.5 103.0 3.9 104.0 1.7 105.0 1.0 107.0 100.0 108.0 7.7 121.0 3.0 122.0 48.0 123.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O 12.6 mg : 0.5 ml CDCl3 o-ethylphenol 
Assign. Shift(ppm)
A 7.142 B 7.081 C 6.887 D 6.757 E 4.80 F 2.639 G 1.237
Hz ppm Int.2859.38 7.155 62 2858.64 7.153 61 2857.91 7.152 71 2851.81 7.136 73 2851.20 7.135 73 2850.46 7.133 85 2850.10 7.132 80 2838.87 7.104 50 2837.16 7.100 45 2831.42 7.085 89 2830.93 7.084 88 2829.59 7.081 79 2829.22 7.080 77 2823.49 7.065 71 2821.78 7.061 61 2760.13 6.907 71 2758.91 6.904 75 2752.69 6.888 120 2751.46 6.885 124 2745.24 6.870 55 2744.02 6.867 55 2704.83 6.768 111 2703.61 6.765 110 2696.90 6.749 100 2696.53 6.748 99 2695.68 6.746 99 2695.31 6.745 89 1920.17 4.805 44 1066.04 2.668 63 1058.59 2.649 194 1051.03 2.630 200 1043.46 2.611 70 502.08 1.257 486 494.51 1.238 1000 492.07 1.232 37 486.94 1.219 486
in CDCl3
CCl4 solution
liquid film
