2,3-Difluorobenzoic acid(4519-39-5) MS
Product Name2,3-Difluorobenzoic acid
CAS4519-39-5
Molecular FormulaC7H4F2O2
Molecular Weight158.1
InChIInChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChIKey JLZVIWSFUPLSOR-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(F)=C1F
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MassMS-NW-9629 2,3-difluorobenzoic acid C7H4F2O2 (Mass of molecular ion: 158)
Source Temperature: 120 °C Sample Temperature: 80 °C Direct, 75 eV
17.0 1.3 18.0 7.1 31.0 1.2 37.0 1.0 45.0 2.0 50.0 2.2 57.0 1.7 61.0 1.5 62.0 3.3 63.0 15.1 64.0 1.1 65.0 1.1 68.0 2.4 69.0 1.1 70.5 2.5 74.0 1.7 75.0 1.5 81.0 1.5 82.0 1.1 88.0 2.3 92.0 1.0 93.0 2.3 94.0 5.1 101.0 1.1 110.0 1.1 112.0 2.0 113.0 36.3 114.0 4.7 130.0 1.8 138.0 3.9 139.0 1.1 141.0 97.8 142.0 7.5 158.0 100.0 159.0 7.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 F2 O2 0.034 g : 0.5 ml DMSO-d6 2,3-difluorobenzoic acid 
Assign. Shift(ppm)
A 13.6 B 7.70 C 7.329
Hz ppm Int.5437.01 13.605 32 3096.44 7.748 50 3094.97 7.745 49 3092.29 7.738 56 3091.80 7.737 57 3087.16 7.725 172 3085.45 7.721 421 3084.47 7.718 525 3082.52 7.714 213 3079.83 7.707 319 3078.13 7.703 1000 3076.42 7.698 840 3074.71 7.694 360 3072.02 7.687 271 3070.07 7.682 778 3068.12 7.678 423 3066.41 7.673 255 3060.55 7.659 211 3058.84 7.654 160 2939.94 7.357 218 2938.23 7.353 257 2935.06 7.345 229 2933.35 7.340 274 2931.64 7.336 370 2930.18 7.332 415 2926.76 7.324 324 2925.29 7.320 353 2923.58 7.316 216 2921.88 7.312 199 2918.70 7.304 165 2917.24 7.300 169
KBr disc
nujol mull
