4-Fluorobenzyl alcohol(459-56-3) MS
Product Name4-Fluorobenzyl alcohol
CAS459-56-3
Molecular FormulaC7H7FO
Molecular Weight126.13
InChIInChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey GEZMEIHVFSWOCA-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(F)C=C1
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MassMS-NW-5491 p-fluorobenzyl alcohol C7H7FO (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.9 28.0 2.3 29.0 6.6 31.0 6.0 37.0 2.1 38.0 3.2 39.0 6.5 44.0 1.0 49.0 1.6 50.0 9.6 51.0 13.4 52.0 2.2 53.0 2.5 56.0 1.2 57.0 7.5 59.0 1.4 61.0 2.1 62.0 3.6 62.5 1.9 63.0 5.8 68.0 2.4 69.0 4.3 70.0 5.6 71.0 1.6 73.0 1.2 74.0 4.6 75.0 13.2 76.0 1.8 77.0 32.1 78.0 5.5 79.0 4.0 81.0 3.3 82.0 1.1 83.0 10.1 89.0 1.9 94.0 2.0 95.0 28.1 96.0 12.3 97.0 99.1 98.0 8.4 105.0 30.5 106.0 6.8 107.0 9.6 108.0 7.2 109.0 31.7 110.0 3.3 123.0 6.2 124.0 1.6 125.0 67.8 126.0 100.0 127.0 7.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 F O 0.04 ml : 0.5 ml CDCl3 p-fluorobenzyl alcohol 
Assign. Shift(ppm)
A 7.27 B 7.01 C 4.560 D 2.57
Hz ppm Int.659.13 7.360 38 658.56 7.354 82 657.94 7.347 60 656.25 7.328 37 653.63 7.299 44 653.06 7.292 91 652.44 7.285 83 651.44 7.274 49 650.13 7.260 132 649.56 7.253 166 649.06 7.248 138 647.13 7.226 50 646.50 7.219 55 644.63 7.198 116 644.13 7.193 161 637.50 7.119 33 634.94 7.090 209 632.69 7.065 57 628.44 7.017 45 626.31 6.994 278 624.00 6.968 61 619.69 6.920 37 617.44 6.895 106 408.44 4.561 424 230.38 2.573 1000
in CDCl3
liquid film
4880 A,200 M,liquid
