3',4'-Difluoroacetophenone (369-33-5) MS
Product Name3',4'-Difluoroacetophenone
CAS369-33-5
Molecular FormulaC8H6F2O
Molecular Weight156.13
InChIInChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey VWJSSJFLXRMYNV-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(F)C(F)=C1)C
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MassMS-NW-9444 3',4'-difluoroacetophenone C8H6F2O (Mass of molecular ion: 156)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.9 31.0 1.1 42.0 1.0 43.0 15.7 50.0 1.9 51.0 1.0 57.0 1.8 61.0 1.3 62.0 3.1 63.0 14.7 68.0 1.7 69.0 1.1 70.5 1.3 74.0 1.8 75.0 2.1 81.0 1.5 87.0 1.0 93.0 2.3 94.0 1.2 101.0 1.1 112.0 1.7 113.0 57.4 114.0 5.5 127.0 1.7 141.0 100.0 142.0 7.7 156.0 34.1 157.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 F2 O 0.05 ml : 0.5 ml CDCl3 3',4'-difluoroacetophenone 
Assign. Shift(ppm)
A 7.78 to 7.76 B 7.264 C 2.600
Hz ppm Int.3119.26 7.805 58 3117.19 7.800 74 3111.57 7.786 56 3109.62 7.781 80 3107.67 7.776 200 3106.32 7.773 73 3105.47 7.771 54 3102.91 7.765 86 3100.59 7.759 115 3098.63 7.754 109 3096.92 7.750 56 3095.83 7.747 74 3094.73 7.744 63 3093.75 7.742 39 3092.53 7.739 46 2916.02 7.297 66 2909.30 7.280 31 2908.57 7.278 54 2907.35 7.275 81 2906.13 7.272 74 2899.66 7.256 54 2898.93 7.254 89 2897.58 7.251 70 2889.77 7.231 61 1039.31 2.601 1000
in CDCl3
liquid film
