(4-Fluorophenyl)acetone(459-03-0) 13C NMR
Product Name(4-Fluorophenyl)acetone
CAS459-03-0
Molecular FormulaC9H9FO
Molecular Weight152.17
InChIInChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKey ZUEKIIWSVFBTCM-UHFFFAOYSA-N
SmilesC(C1=CC=C(F)C=C1)C(=O)C
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MassMS2006-03359WA (p-fluorophenyl)acetone C9H9FO (Mass of molecular ion: 152)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 1.7 39.0 3.3 43.0 66.0 44.0 1.7 50.0 2.4 51.0 2.6 54.5 1.1 57.0 7.3 59.0 1.9 62.0 2.7 63.0 6.0 69.0 1.0 70.0 1.0 74.0 1.5 75.0 2.9 81.0 4.0 82.0 1.4 83.0 20.9 84.0 1.2 87.0 1.0 89.0 3.4 95.0 2.6 96.0 1.1 101.0 1.0 107.0 9.2 108.0 4.5 109.0 100.0 110.0 19.6 111.0 1.2 123.0 3.0 124.0 1.5 133.0 1.1 152.0 31.0 153.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 F O 0.05 ml : 0.5 ml CDCl3 (p-fluorophenyl)acetone 
Assign. Shift(ppm)
A 7.14 B 6.99 C 3.646 D 2.127
Hz ppm Int.651.13 7.271 69 648.13 7.237 56 645.50 7.208 44 645.00 7.202 40 643.94 7.191 47 642.50 7.174 97 642.13 7.170 97 639.25 7.138 197 637.13 7.115 88 635.19 7.093 125 633.38 7.073 344 631.75 7.054 77 631.31 7.050 80 630.63 7.042 82 629.50 7.029 45 628.63 7.020 47 627.06 7.002 98 624.88 6.978 234 622.31 6.949 78 618.25 6.904 50 615.81 6.876 74 326.63 3.648 391 190.38 2.126 1000 186.13 2.079 41 186.00 2.077 41 185.44 2.071 40 184.38 2.059 34
in CDCl3
liquid film
