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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
1HNMR
IR
Raman
FT-IR
parameter in CCl4
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
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3-Fluoro-4-methylaniline(452-77-7) 1H NMR Atlas of Related Products