2,3-Difluoroaniline(4519-40-8) IR1
Product Name2,3-Difluoroaniline
CAS4519-40-8
Molecular FormulaC6H5F2N
Molecular Weight129.11
InChIInChI=1S/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey YCCQGFYAVUTQFK-UHFFFAOYSA-N
SmilesC1(N)=CC=CC(F)=C1F
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MassMS-KW-0849 2,3-difluoroaniline C6H5F2N (Mass of molecular ion: 129)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.6 31.0 3.2 37.0 1.1 38.0 1.7 39.0 1.7 41.0 1.6 50.0 2.0 51.0 5.3 52.0 4.3 56.0 1.8 57.0 3.6 61.0 1.2 62.0 2.9 63.0 3.4 64.0 1.0 64.5 7.3 65.0 1.2 70.0 1.4 75.0 5.0 76.0 2.1 81.0 3.8 82.0 11.0 83.0 3.1 89.0 3.5 90.0 1.9 98.0 1.3 99.0 1.4 100.0 1.3 101.0 25.9 102.0 24.6 103.0 2.3 108.0 2.2 109.0 6.2 110.0 1.0 112.0 1.1 128.0 5.0 129.0 100.0 130.0 7.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 F2 N 0.05 ml : 0.5 ml CDCl3 2,3-difluoroaniline 
Assign. Shift(ppm)
A 6.798 B 6.49 C 6.48 D 3.77 B AND C WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.2729.37 6.830 250 2727.29 6.825 264 2723.75 6.816 266 2721.68 6.811 333 2720.95 6.809 443 2718.87 6.804 410 2715.45 6.795 499 2713.38 6.790 544 2712.77 6.788 415 2710.69 6.783 328 2707.15 6.774 313 2705.08 6.769 312 2609.74 6.531 42 2607.54 6.525 272 2606.08 6.521 356 2600.46 6.507 441 2599.00 6.504 879 2597.53 6.500 481 2597.05 6.499 725 2595.46 6.495 248 2594.24 6.492 111 2592.90 6.488 249 2592.04 6.486 472 2591.43 6.485 621 2590.45 6.482 892 2589.84 6.481 721 2589.36 6.480 541 2588.87 6.478 684 2587.28 6.474 270 2584.59 6.468 206 2583.01 6.464 471 2581.67 6.460 461 2580.08 6.456 214 1508.06 3.774 1000
in CDCl3
liquid film
