3-Ethylphenol(620-17-7) MS
Product Name3-Ethylphenol
CAS620-17-7
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
InChIKey HMNKTRSOROOSPP-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(CC)=C1
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MassMS-NW-8681 m-ethylphenol C8H10O (Mass of molecular ion: 122)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 3.0 38.0 1.4 39.0 7.3 41.0 1.5 50.0 1.7 51.0 4.4 52.0 1.7 53.0 3.2 55.0 1.9 59.0 1.1 60.0 1.6 62.0 1.0 63.0 2.6 65.0 3.7 66.0 1.4 77.0 18.6 78.0 3.4 79.0 6.6 91.0 4.9 93.0 1.7 94.0 5.8 95.0 1.0 103.0 3.3 105.0 1.2 107.0 100.0 108.0 7.8 121.0 5.2 122.0 45.8 123.0 4.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O 20.0 mg : 0.5 ml CDCl3 m-ethylphenol 
Assign. Shift(ppm)
A 7.146 B 6.779 C 6.683 D 6.652 E 5.07 F 2.595 G 1.211
Hz ppm Int.2863.77 7.166 83 2856.20 7.147 168 2848.39 7.128 98 2714.72 6.793 31 2714.11 6.792 60 2713.13 6.789 89 2712.52 6.788 90 2711.67 6.786 68 2710.94 6.784 34 2706.54 6.773 55 2705.57 6.770 81 2704.96 6.769 82 2704.10 6.767 61 2673.34 6.690 65 2672.73 6.688 74 2672.24 6.687 63 2671.75 6.686 77 2671.14 6.684 106 2670.65 6.683 126 2670.17 6.682 111 2669.19 6.679 103 2668.58 6.678 92 2663.70 6.666 78 2663.21 6.664 77 2662.84 6.663 79 2661.13 6.659 51 2660.64 6.658 47 2660.16 6.657 46 2655.76 6.646 69 2655.27 6.644 67 2654.79 6.643 69 2653.20 6.639 52 2652.71 6.638 48 2652.22 6.637 49 2026.25 5.071 417 1048.58 2.624 63 1041.02 2.605 190 1033.45 2.586 194 1025.76 2.567 67 491.70 1.231 499 484.13 1.212 1000 476.44 1.193 485
in CDCl3
CCl4 solution
liquid film
