2,4-Difluorobenzoyl chloride(72482-64-5) 13C NMR
Product Name2,4-Difluorobenzoyl chloride
CAS72482-64-5
Molecular FormulaC7H3ClF2O
Molecular Weight176.55
InChIInChI=1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H
InChIKey JSWRVDNTKPAJLB-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=C(F)C=C1F
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MassMS-NW-9581 2,4-difluorobenzoyl chloride C7H3ClF2O (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.7 37.0 1.2 50.0 1.8 56.0 1.1 57.0 1.4 61.0 1.9 62.0 3.6 63.0 16.4 64.0 1.0 68.0 2.6 69.0 1.3 70.5 6.2 74.0 2.9 75.0 1.4 81.0 1.5 93.0 2.3 94.0 1.2 112.0 2.0 113.0 34.9 114.0 2.4 141.0 100.0 142.0 7.8 158.0 1.1 176.0 2.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H3 Cl F2 O 0.035 g : 0.5 ml DMSO-d6 2,4-difluorobenzoyl chloride 
Assign. Shift(ppm)
A 7.985 B 7.369 C 7.200
Hz ppm Int.3203.49 8.016 500 3200.93 8.010 41 3196.78 7.999 574 3194.70 7.994 995 3187.99 7.977 1000 3186.04 7.973 589 3182.98 7.965 36 3179.32 7.956 546 2956.79 7.399 469 2954.22 7.393 489 2947.27 7.375 512 2945.31 7.370 671 2944.95 7.369 676 2943.12 7.365 541 2939.70 7.356 39 2939.21 7.355 41 2936.16 7.347 470 2933.72 7.341 489 2891.24 7.235 405 2890.14 7.232 414 2888.67 7.229 354 2887.70 7.226 351 2883.06 7.214 516 2882.08 7.212 677 2881.35 7.210 551 2880.49 7.208 501 2879.76 7.206 628 2874.27 7.192 397 2873.17 7.190 390 2871.70 7.186 341 2870.73 7.184 329
in DMSO-d6
liquid film
