3-Fluorobenzyl alcohol(456-47-3) MS
Product Name3-Fluorobenzyl alcohol
CAS456-47-3
Molecular FormulaC7H7FO
Molecular Weight126.13
InChIInChI=1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey QDHRSLFSDGCJFX-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC(F)=C1
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MassMS-NW-5487 m-fluorobenzyl alcohol C7H7FO (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 27.0 2.5 28.0 2.1 29.0 6.9 31.0 7.1 37.0 2.0 38.0 3.0 39.0 6.5 49.0 1.4 50.0 9.3 51.0 12.9 52.0 2.5 53.0 2.4 57.0 6.6 59.0 1.1 61.0 2.0 62.0 3.5 62.5 2.3 63.0 5.5 68.0 2.7 69.0 4.4 70.0 6.0 71.0 1.5 73.0 1.0 74.0 4.3 75.0 12.9 76.0 2.2 77.0 32.7 78.0 6.3 79.0 4.5 81.0 3.0 83.0 8.7 89.0 1.7 94.0 1.8 95.0 25.7 96.0 13.9 97.0 97.2 98.0 7.6 105.0 34.6 106.0 6.1 107.0 10.1 108.0 8.7 109.0 21.4 110.0 2.9 123.0 5.1 124.0 1.4 125.0 50.8 126.0 100.0 127.0 8.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 F O 0.05 ml : 0.5 ml CDCl3 m-fluorobenzyl alcohol 
Assign. Shift(ppm)
A 7.239 B 7.013 C 6.974 D 6.921 E 4.522 G 3.52 J(A,F-19)=5.6HZ. J(C,F-19)=9.6HZ.
Hz ppm Int.2904.91 7.269 117 2899.05 7.254 134 2897.09 7.250 207 2891.24 7.235 213 2883.18 7.215 144 2807.25 7.025 181 2806.40 7.023 242 2805.79 7.021 249 2804.93 7.019 201 2798.83 7.004 200 2798.22 7.002 216 2797.36 7.000 180 2794.19 6.992 119 2793.70 6.991 133 2791.50 6.985 163 2791.14 6.984 154 2790.04 6.982 125 2783.94 6.966 121 2781.86 6.961 162 2781.37 6.960 148 2780.27 6.957 126 2775.27 6.945 101 2774.78 6.944 103 2774.41 6.943 104 2772.71 6.938 85 2772.22 6.937 84 2771.73 6.936 82 2766.60 6.923 175 2766.11 6.922 178 2765.63 6.921 154 2764.04 6.917 137 2763.55 6.915 135 2758.42 6.903 80 2757.93 6.901 82 2757.45 6.900 83 2755.74 6.896 67 2755.25 6.895 66 2754.76 6.893 65 1807.86 4.524 1000 1406.37 3.520 76
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1H NMR 89.56 MHz C7 H7 F O 0.04 ml : 0.5 ml CDCl3 m-fluorobenzyl alcohol Assign. Shift(ppm)
A 7.26 B 7.07 to 6.92 C 4.602 D 2.63
Hz ppm Int.663.56 7.410 49 657.81 7.345 37 656.88 7.335 55 655.63 7.321 146 650.44 7.263 134 649.63 7.254 140 647.69 7.232 214 642.69 7.177 136 642.06 7.170 154 635.31 7.094 310 634.56 7.086 329 634.00 7.080 328 631.88 7.056 147 631.06 7.047 182 629.94 7.034 146 629.50 7.029 154 627.94 7.012 182 627.25 7.004 154 626.06 6.991 129 624.25 6.971 166 623.44 6.962 220 622.75 6.954 247 622.44 6.950 249 621.00 6.934 164 614.94 6.867 58 613.25 6.848 60 612.88 6.844 56 612.38 6.838 47 610.75 6.820 40 412.25 4.604 1000 235.13 2.626 884
in CDCl3
liquid film
