3-Fluoro-4-methylaniline(452-77-7) Raman
Product Name3-Fluoro-4-methylaniline
CAS452-77-7
Molecular FormulaC7H8FN
Molecular Weight125.14
InChIInChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey MGRHBBRSAFPBIN-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C)C(F)=C1
parameter in CCl4
-
1H NMR 300 MHz C7 H8 F N 10 mol% in CCl4 3-fluoro-p-toluidine 
Parameter ppm Hz
D(A) 6.20 D(B) 6.20 D(C) 6.81 D(D) 2.10 J(A,B) 2.21 J(A,C) 0.34 J(A,D) 0.53 J(A,X) 11.42 J(B,C) 8.12 J(B,D) 0.40 J(B,X) -0.90 J(C,D) -0.76 J(C,X) 8.66 J(D,X) 0.0 D(E) 3.63 AKSNES,D. & KRONHAUG,F.H. ACTA CHEM.SCAND. 25, 1871 (1971)
Hz ppm Int.2052.05 6.840 42 2051.30 6.838 56 2043.45 6.811 98 2042.70 6.809 98 2034.41 6.781 53 1864.92 6.216 163 1864.39 6.215 162 1857.65 6.192 53 1855.48 6.185 154 1088.98 3.630 1000 629.96 2.100 787
