p-Fluorotoluene(352-32-9) 13C NMR
Product Namep-Fluorotoluene
CAS352-32-9
Molecular FormulaC7H7F
Molecular Weight110.13
InChIInChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey WRWPPGUCZBJXKX-UHFFFAOYSA-N
SmilesC1(F)=CC=C(C)C=C1
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MassMS-NW-3004 p-fluorotoluene C7H7F (Mass of molecular ion: 110)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
31.0 1.4 38.0 1.1 39.0 3.6 44.0 1.0 45.0 1.1 50.0 2.3 51.0 2.5 55.0 1.3 57.0 5.6 59.0 1.2 61.0 1.0 62.0 1.7 63.0 4.1 75.0 1.4 81.0 2.2 83.0 11.5 84.0 1.1 89.0 1.8 91.0 1.7 107.0 3.6 108.0 2.2 109.0 100.0 110.0 63.8 111.0 4.6
90 MHz in CDCl3
parameter in acetone-d6
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1H NMR 89.56 MHz C7 H7 F 0.04 ml : 0.5 ml CDCl3 p-fluorotoluene 
Assign. Shift(ppm)
A 7.06 B 6.94 C 2.30
Hz ppm Int.643.88 7.190 84 643.31 7.184 94 641.31 7.161 53 640.69 7.154 56 640.06 7.147 36 638.19 7.126 114 637.56 7.119 148 636.88 7.112 114 634.69 7.087 279 632.69 7.065 90 632.19 7.059 96 631.75 7.054 95 631.13 7.048 79 629.25 7.027 317 628.69 7.020 259 627.19 7.004 441 624.63 6.975 97 620.88 6.933 107 618.56 6.907 453 616.13 6.880 103 612.06 6.835 53 609.69 6.808 136 205.94 2.300 1000 205.56 2.296 1000
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1H NMR 300 MHz C7 H7 F 15 mol% in acetone-d6 p-fluorotoluene Parameter ppm Hz
D(A) 7.128 D(B) 6.933 D(C) 2.262 D(X) -5.36 J(A,A') 2.389 J(A,B) 8.439 J(A,B') 0.388 J(A,C) -0.726 J(A,X) 5.426 J(A',B) 0.388 J(A',B') 8.439 J(A',C) -0.726 J(A',X) 5.426 J(B,B') 2.878 J(B,C) 0.346 J(B,X) 8.966 J(B',C) 0.346 J(B',X) 8.966 J(C,X) 1.135 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 49, 94 (1971) F-19 REFERENCE : FLUOROBENZENE, SOLVENT : DMSO, SUHR,H. BER.BUNSENGES. PHYS.CHEM. 68, 169 (1964)
Hz ppm Int.2149.13 7.164 15 2148.50 7.162 17 2146.13 7.154 124 2145.54 7.152 139 2144.08 7.147 71 2143.30 7.144 63 2142.44 7.141 56 2140.48 7.135 132 2138.11 7.127 212 2137.43 7.125 223 2136.75 7.122 183 2134.43 7.115 55 2132.15 7.107 159 2130.01 7.100 93 2091.40 6.971 30 2088.39 6.961 244 2086.34 6.954 76 2081.20 6.937 170 2079.61 6.932 261 2076.55 6.922 54 2072.59 6.909 131 2070.13 6.900 131 2067.95 6.893 19 678.58 2.262 1000
in CDCl3
liquid film
4880 A,200 M,liquid
PHOTOLYSIS IN DTBPO AT -70C
