2-Fluorobenzoic acid(445-29-4) 1H NMR
Product Name2-Fluorobenzoic acid
CAS445-29-4
Molecular FormulaC7H5FO2
Molecular Weight140.11
InChIInChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey NSTREUWFTAOOKS-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1F
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MassMS-NW-8852 o-fluorobenzoic acid C7H5FO2 (Mass of molecular ion: 140)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 3.7 28.0 2.5 37.0 1.1 38.0 1.3 39.0 2.2 44.0 1.4 45.0 2.5 47.5 1.2 50.0 8.2 51.0 3.6 56.0 1.7 57.0 2.2 61.0 1.0 61.5 2.2 62.0 1.3 63.0 2.1 64.0 1.8 68.0 3.6 69.0 4.6 70.0 4.1 74.0 4.5 75.0 17.5 76.0 5.1 83.0 1.2 92.0 2.4 93.0 1.4 94.0 3.7 95.0 40.0 96.0 5.0 112.0 1.3 123.0 100.0 124.0 8.0 140.0 82.8 141.0 6.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 F O2 0.039 g : 0.5 ml DMSO-d6 o-fluorobenzoic acid 
Assign. Shift(ppm)
A 13.3 B 7.915 C 7.663 D 7.33
Hz ppm Int.5317.10 13.305 260 3171.93 7.937 215 3170.00 7.932 234 3164.23 7.918 392 3162.31 7.913 436 3156.33 7.898 210 3154.83 7.894 229 3074.27 7.693 124 3072.56 7.689 130 3069.36 7.681 150 3067.22 7.675 241 3065.94 7.672 221 3065.08 7.670 221 3064.23 7.668 198 3061.88 7.662 216 3061.02 7.660 222 3059.53 7.656 269 3058.67 7.654 228 3056.75 7.649 169 3053.55 7.641 153 3051.84 7.637 141 2940.51 7.358 350 2937.73 7.351 373 2936.66 7.349 355 2931.96 7.337 407 2929.40 7.330 1000 2921.49 7.311 605
in D2O
in DMSO-d6
CCl4 solution
KBr disc
nujol mull
