2-Chloro-6-fluorobenzoic acid(434-75-3) Raman
Product Name2-Chloro-6-fluorobenzoic acid
CAS434-75-3
Molecular FormulaC7H4ClFO2
Molecular Weight174.56
InChIInChI=1S/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey XNTIGDVFBDJLTQ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=C(F)C=CC=C1Cl
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MassMS-NW-7645 2-chloro-6-fluorobenzoic acid C7H4ClFO2 (Mass of molecular ion: 174)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 4.5 31.0 2.0 36.0 2.3 37.0 2.8 38.0 1.3 39.0 1.5 44.0 4.8 45.0 3.9 47.0 1.6 49.0 1.6 50.0 6.6 51.0 1.7 57.0 2.8 61.0 3.1 62.0 2.3 63.0 4.2 64.5 1.6 68.0 6.8 69.0 3.1 73.0 2.9 74.0 8.4 75.0 9.4 78.5 4.1 79.5 1.3 81.0 1.0 82.0 1.4 83.0 3.3 84.0 1.6 92.0 2.1 93.0 8.6 94.0 17.7 95.0 10.6 103.0 1.0 109.0 5.4 110.0 2.9 111.0 2.2 123.0 1.1 126.0 1.3 128.0 1.1 129.0 23.2 130.0 5.9 131.0 8.0 132.0 2.1 139.0 1.4 146.0 1.8 157.0 100.0 158.0 8.0 159.0 32.9 160.0 2.7 174.0 60.5 175.0 5.1 176.0 19.8 177.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 Cl F O2 0.038 g : 0.5 ml DMSO-d6 2-chloro-6-fluorobenzoic acid 
Assign. Shift(ppm)
A 14.1 B 7.533 C 7.427 D 7.359
Hz ppm Int.5643.61 14.122 45 3022.99 7.565 250 3016.79 7.549 315 3014.87 7.544 620 3008.67 7.529 643 3006.53 7.523 450 3000.34 7.508 435 2971.49 7.436 1000 2963.37 7.415 696 2949.70 7.381 520 2940.51 7.358 802 2932.17 7.337 410 2931.32 7.335 319
KBr disc
nujol mull
4880 A,200 M,powder
