Product Name2-Chloro-4,5-difluorobenzoic acid
CAS110877-64-0
Molecular FormulaC7H3ClF2O2
Molecular Weight192.55
InChI
InChIKey
Smiles
Mass
MS-IW-9090 2-chloro-4,5-difluorobenzoic acid C7H3ClF2O2 (Mass of molecular ion: 192)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 28.0 3.5 31.0 5.8 36.0 1.4 37.0 2.9 38.0 1.0 44.0 1.2 45.0 5.3 49.0 1.1 50.0 3.3 51.0 2.0 56.0 2.6 57.0 1.5 61.0 7.3 62.0 12.7 63.0 5.1 68.0 4.4 73.0 2.2 73.5 1.5 74.0 3.3 75.0 3.4 79.0 1.0 80.0 2.0 81.0 6.6 82.0 2.4 87.5 2.8 91.0 1.5 92.0 4.1 93.0 4.0 96.0 1.8 97.0 12.0 98.0 1.3 99.0 4.9 100.0 2.9 101.0 4.8 102.0 1.0 111.0 3.1 112.0 21.3 113.0 8.1 128.0 1.2 146.0 1.6 147.0 38.9 148.0 4.8 149.0 12.5 150.0 1.4 157.0 1.6 164.0 2.4 175.0 100.0 176.0 7.8 177.0 32.3 178.0 2.5 192.0 80.9 193.0 6.4 194.0 26.3 195.0 2.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H3 Cl F2 O2 | saturated in CDCl3 |
2-chloro-4,5-difluorobenzoic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
4795.66 12.000 76 3179.95 7.957 920 3171.53 7.936 978 3169.51 7.931 961 3161.09 7.910 903 2948.61 7.378 929 2944.77 7.369 91 2941.65 7.361 1000 2938.72 7.354 958 2935.24 7.345 86 2931.95 7.337 942
in CDCl3
KBr disc
nujol mull
2-Chloro-4,5-difluorobenzoic acid(110877-64-0) 1H NMR Atlas of Related Products
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