3'-Fluoroacetophenone(455-36-7) IR1
Product Name3'-Fluoroacetophenone
CAS455-36-7
Molecular FormulaC8H7FO
Molecular Weight138.14
InChIInChI=1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKey HCEKGPAHZCYRBZ-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC(F)=C1)C
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MassMS-NW-6463 3'-fluoroacetophenone C8H7FO (Mass of molecular ion: 138)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.7 31.0 1.0 37.0 1.0 38.0 1.2 39.0 2.0 42.0 1.4 43.0 26.3 50.0 5.2 51.0 3.5 57.0 2.3 61.0 1.0 61.5 1.2 62.0 1.4 63.0 1.9 68.0 2.1 69.0 4.1 70.0 1.1 74.0 3.1 75.0 15.1 76.0 1.7 83.0 1.6 94.0 2.6 95.0 61.9 96.0 7.2 109.0 1.9 123.0 100.0 124.0 8.1 138.0 29.6 139.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 F O ca 1 mg : 0.5 ml CDCl3 3'-fluoroacetophenone 
Assign. Shift(ppm)
A 7.739 B 7.630 C 7.448 D 7.264 E 2.599 J(F-19,D)=11.0HZ J(F-19,B)=9.2HZ
Hz ppm Int.3097.90 7.752 60 3096.92 7.750 78 3096.44 7.748 74 3095.46 7.746 65 3090.21 7.733 68 3089.11 7.730 89 3088.62 7.729 84 3087.65 7.726 73 3056.03 7.647 54 3054.44 7.643 57 3053.34 7.641 62 3051.76 7.637 53 3046.51 7.623 54 3044.92 7.619 57 3044.56 7.619 54 3043.95 7.617 60 3042.36 7.613 52 2987.43 7.476 47 2981.81 7.462 49 2979.25 7.455 80 2973.63 7.441 79 2971.44 7.436 54 2965.94 7.422 48 2912.23 7.287 39 2911.25 7.285 41 2909.67 7.281 39 2908.69 7.279 38 2904.05 7.267 70 2903.08 7.265 70 2901.37 7.260 69 2900.39 7.258 66 2895.75 7.246 34 2894.78 7.244 34 2893.07 7.240 31 2892.09 7.237 30 1038.82 2.600 1000
in CDCl3
liquid film
