1-Chloro-3,4-difluorobenzene(696-02-6) MS
Product Name1-Chloro-3,4-difluorobenzene
CAS696-02-6
Molecular FormulaC6H3ClF2
Molecular Weight148.54
InChIInChI=1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey OPQMRQYYRSTBME-UHFFFAOYSA-N
SmilesC1(F)=CC=C(Cl)C=C1F
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MassMS-KW-0520 4-chloro-1,2-difluorobenzene C6H3ClF2 (Mass of molecular ion: 148)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 2.9 37.0 2.0 38.0 1.0 50.0 2.5 56.0 2.1 57.0 1.4 61.0 2.8 62.0 5.0 63.0 14.1 68.0 3.1 69.0 1.3 73.0 1.2 74.0 7.5 75.0 3.2 81.0 2.4 88.0 1.7 92.0 1.4 93.0 3.1 94.0 1.0 97.0 2.0 112.0 6.3 113.0 39.7 114.0 2.6 148.0 100.0 149.0 6.8 150.0 32.2 151.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H3ClF2 0.05 ml : 0.5 ml CDCl3 4-chloro-1,2-difluorobenzene 
Assign. Shift(ppm)
A 7.177 B 7.08 C 7.06
Hz ppm Int.2875.25 7.193 359 2872.81 7.186 382 2868.29 7.175 346 2865.61 7.168 464 2862.80 7.161 321 2858.65 7.151 234 2857.67 7.149 268 2856.69 7.146 260 2855.84 7.144 263 2848.03 7.124 227 2839.12 7.102 532 2831.55 7.083 532 2829.59 7.078 552 2827.89 7.074 466 2827.03 7.072 428 2825.69 7.069 424 2824.47 7.065 405 2822.76 7.061 1000 2820.56 7.056 554 2819.10 7.052 172 2818.12 7.050 187 2816.78 7.046 128 2815.68 7.044 158 2813.97 7.039 140 2811.53 7.033 122
in CDCl3
Liquid film
