2-Fluoro-5-methylaniline(452-84-6) 1H NMR
Product Name2-Fluoro-5-methylaniline
CAS452-84-6
Molecular FormulaC7H8FN
Molecular Weight125.14
InChIInChI=1S/C7H8FN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey QZUXMXZNVAJNSE-UHFFFAOYSA-N
SmilesC1(N)=CC(C)=CC=C1F
-
MassMS-NW-9728 6-fluoro-m-toluidine C7H8FN (Mass of molecular ion: 125)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.5 39.0 1.4 50.0 1.0 51.0 3.1 52.0 1.5 52.5 1.5 57.0 1.7 62.0 2.4 62.5 3.3 63.0 1.2 70.0 1.1 75.0 1.1 77.0 7.0 78.0 3.4 83.0 1.4 95.0 2.9 96.0 2.5 97.0 8.8 98.0 2.0 104.0 4.3 106.0 3.3 107.0 2.4 108.0 1.1 109.0 3.6 122.0 1.7 124.0 97.8 125.0 100.0 126.0 7.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H8 F N 0.05 ml : 0.5 ml CDCl3 6-fluoro-m-toluidine 
Assign. Shift(ppm)
A 6.821 B 6.510 C 6.441 D 3.59 E 2.188
Hz ppm Int.2736.08 6.847 176 2727.91 6.826 198 2724.98 6.819 187 2716.80 6.798 200 2607.54 6.525 116 2607.18 6.524 117 2605.47 6.520 136 2598.88 6.503 118 2598.51 6.502 119 2596.68 6.498 141 2596.31 6.497 137 2581.67 6.460 75 2580.93 6.458 76 2580.20 6.457 58 2579.47 6.455 72 2578.86 6.453 67 2577.15 6.449 82 2576.42 6.447 82 2575.68 6.445 62 2574.95 6.444 76 2574.22 6.442 90 2573.49 6.440 91 2572.75 6.438 77 2572.02 6.436 58 2571.29 6.434 69 2570.56 6.433 67 2569.82 6.431 50 2568.85 6.428 75 2568.24 6.427 74 2567.50 6.425 55 2566.65 6.423 66 2566.04 6.421 61 1432.98 3.586 509 874.51 2.189 1000
in CDCl3
liquid film
