4-Fluoroaniline(371-40-4) MS
Product Name4-Fluoroaniline
CAS371-40-4
Molecular FormulaC6H6FN
Molecular Weight111.12
InChIInChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey KRZCOLNOCZKSDF-UHFFFAOYSA-N
SmilesC1(N)=CC=C(F)C=C1
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MassMS-NW-0998 p-fluoroaniline C6H6FN (Mass of molecular ion: 111)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
28.0 3.9 31.0 1.8 37.0 1.1 38.0 1.5 39.0 2.4 41.0 2.6 45.5 1.1 50.0 1.3 51.0 1.3 52.0 2.7 55.5 3.6 56.0 1.5 57.0 6.7 58.0 1.1 61.0 1.1 62.0 1.4 63.0 3.4 64.0 6.4 65.0 2.5 75.0 1.0 81.0 1.7 82.0 1.7 83.0 18.3 84.0 30.1 85.0 2.9 91.0 3.9 94.0 1.1 110.0 6.1 111.0 100.0 112.0 6.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H6 F N 0.02 ml : 0.5 ml CDCl3 p-fluoroaniline 
Assign. Shift(ppm)
A 6.82 B 6.59 C 3.45 J(A,B)=9.2HZ J(A,F-19)=9.0HZ J(B,F-19)=4.7HZ
Hz ppm Int.621.94 6.945 461 621.44 6.939 254 619.44 6.917 177 615.38 6.872 228 613.00 6.845 1000 611.00 6.823 207 609.69 6.808 144 607.00 6.778 216 604.44 6.749 842 601.38 6.715 151 599.38 6.693 128 596.25 6.658 842 594.63 6.640 195 593.69 6.629 243 591.63 6.606 843 589.56 6.583 258 589.00 6.577 251 587.56 6.561 325 587.06 6.555 451 585.00 6.532 168 583.81 6.519 76 582.94 6.509 278 582.38 6.503 370 308.63 3.447 655
in CDCl3
liquid film
