2-Chloro-4-fluorobenzoic acid(2252-51-9) 13C NMR
Product Name2-Chloro-4-fluorobenzoic acid
CAS2252-51-9
Molecular FormulaC7H4ClFO2
Molecular Weight174.56
InChIInChI=1S/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey GRPWQLDSGNZEQE-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(F)C=C1Cl
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MassMS-IW-5654 2-chloro-4-fluorobenzoic acid C7H4ClFO2 (Mass of molecular ion: 174)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
37.0 1.0 45.0 1.2 50.0 3.2 57.0 1.6 61.0 1.2 62.0 1.0 63.0 1.8 64.5 1.1 68.0 2.6 69.0 1.3 73.0 4.0 74.0 4.9 75.0 2.8 78.5 2.4 82.0 1.4 83.0 2.0 92.0 1.1 93.0 5.5 94.0 9.7 95.0 4.0 109.0 3.9 111.0 1.5 129.0 26.2 130.0 2.4 131.0 8.7 146.0 1.0 157.0 100.0 158.0 7.6 159.0 32.8 160.0 2.5 174.0 68.9 175.0 5.3 176.0 22.0 177.0 1.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 Cl F O2 0.043 g : 0.5 ml DMSO-d6 2-chloro-4-fluorobenzoic acid 
Assign. Shift(ppm)
A 7.934 B 7.535 C 7.323
Hz ppm Int.3178.96 7.955 790 3172.61 7.939 848 3170.17 7.933 897 3163.82 7.917 852 3017.58 7.551 960 3015.14 7.545 964 3008.54 7.528 959 3006.10 7.522 1000 2936.52 7.348 590 2933.84 7.342 549 2928.22 7.327 754 2927.73 7.326 760 2925.78 7.321 677 2925.29 7.320 682 2919.68 7.306 537 2916.99 7.299 532
in DMSO-d6
KBr disc
nujol mull
