2-Chloro-6-fluorophenylacetic acid(37777-76-7) 13C NMR
Product Name2-Chloro-6-fluorophenylacetic acid
CAS37777-76-7
Molecular FormulaC8H6ClFO2
Molecular Weight188.58
InChIInChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey GUAIAAXDEJZRBP-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=C(F)C=CC=C1Cl
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MassMS-NW-9339 2-chloro-6-fluorophenylacetic acid C8H6ClFO2 (Mass of molecular ion: 188)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 4.8 28.0 1.8 31.0 1.0 36.0 1.0 39.0 2.3 45.0 2.6 50.0 1.5 51.0 2.7 57.0 8.2 62.0 2.7 63.0 4.4 71.5 2.3 73.0 1.7 75.0 3.0 77.0 2.0 81.0 5.7 82.0 1.5 83.0 6.6 87.0 1.1 89.0 5.5 91.0 1.2 93.0 1.3 95.0 1.9 96.0 1.2 97.0 1.6 105.0 1.0 107.0 28.2 108.0 18.6 109.0 54.3 110.0 4.2 117.0 6.3 119.0 2.1 123.0 1.2 124.0 6.3 125.0 3.6 126.0 2.2 140.0 1.0 142.0 1.1 143.0 100.0 144.0 11.9 145.0 32.4 146.0 4.3 153.0 40.4 154.0 3.8 188.0 38.9 189.0 3.7 190.0 12.8 191.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H6 Cl F O2 0.038 g : 0.5 ml DMSO-d6 2-chloro-6-fluorophenylacetic acid 
Assign. Shift(ppm)
A 12.7 B 7.36 C 7.33 D 7.236 E 3.745 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.5079.91 12.711 37 2956.96 7.399 84 2951.19 7.385 74 2949.05 7.380 264 2943.07 7.365 278 2941.15 7.360 336 2938.16 7.352 476 2936.02 7.347 874 2930.04 7.332 166 2928.11 7.327 78 2900.76 7.259 191 2899.05 7.254 180 2897.56 7.251 52 2892.85 7.239 160 2891.36 7.235 300 2888.79 7.229 172 2884.52 7.218 120 2881.96 7.212 125 1497.93 3.749 1000 1496.00 3.744 996
in CDCl3
in DMSO-d6
KBr disc
nujol mull
