3-FLUORO-O-XYLENE(443-82-3) 13C NMR
Product Name3-FLUORO-O-XYLENE
CAS443-82-3
Molecular FormulaC8H9F
Molecular Weight124.16
InChIInChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey AWLDSXJCQWTJPC-UHFFFAOYSA-N
SmilesC1(F)=CC=CC(C)=C1C
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MassMS-NW-6028 3-fluoro-o-xylene C8H9F (Mass of molecular ion: 124)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.4 28.0 1.1 38.0 1.1 39.0 4.3 50.0 3.3 51.0 7.8 52.0 1.3 57.0 4.0 60.0 1.4 61.0 1.9 62.0 1.4 63.0 3.2 70.0 1.3 74.0 1.3 75.0 2.9 77.0 7.8 78.0 1.4 81.0 1.5 83.0 5.8 91.0 1.2 95.0 2.2 96.0 4.3 97.0 2.9 101.0 3.8 102.0 1.5 103.0 5.3 105.0 2.1 107.0 1.7 109.0 100.0 110.0 8.1 121.0 2.5 122.0 2.7 123.0 24.4 124.0 66.3 125.0 6.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 F 0.05 ml : 0.5 ml CDCl3 3-fluoro-o-xylene 
Assign. Shift(ppm)
A 7.000 B 6.888 C 6.833 D 2.244 E 2.146
Hz ppm Int.2809.45 7.030 50 2801.64 7.011 121 2795.78 6.996 120 2793.82 6.991 97 2787.96 6.977 85 2755.74 6.896 192 2748.17 6.877 140 2739.26 6.855 101 2730.22 6.832 152 2721.44 6.810 80 897.09 2.245 1000 858.89 2.150 693 856.81 2.144 678
in CDCl3
liquid film
