3-Fluoroaniline(372-19-0) MS
Product Name3-Fluoroaniline
CAS372-19-0
Molecular FormulaC6H6FN
Molecular Weight111.12
InChIInChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey QZVQQUVWFIZUBQ-UHFFFAOYSA-N
SmilesC1(N)=CC=CC(F)=C1
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MassMS-NW-1008 m-fluoroaniline C6H6FN (Mass of molecular ion: 111)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
28.0 5.3 31.0 2.2 37.0 2.1 38.0 3.3 39.0 4.9 40.0 1.3 41.0 4.4 45.5 1.2 50.0 2.0 51.0 1.9 52.0 4.0 55.5 2.5 56.0 1.3 57.0 8.7 58.0 1.3 61.0 1.8 62.0 2.4 63.0 5.7 64.0 10.0 65.0 4.2 70.0 1.2 72.0 1.7 75.0 1.7 81.0 1.8 82.0 1.8 83.0 20.6 84.0 32.0 85.0 3.6 90.0 1.5 91.0 5.2 94.0 1.3 110.0 5.9 111.0 100.0 112.0 6.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H6 F N 0.05 ml : 0.5 ml CDCl3 m-fluoroaniline 
Assign. Shift(ppm)
A 7.036 B 6.413 C 6.366 D 6.311 E 3.72 J(A,F-19)=6.7HZ J(A,B)=8.2HZ J(A,C)=8.0HZ J(A,D)=0.4HZ J(B,F-19)=8.8HZ J(B,C)=1.0HZ J(B,D)=2.4HZ J(C,D)=2.2HZ J(D,F-19)=11.0HZ
Hz ppm Int.2823.73 7.066 428 2823.36 7.065 397 2820.68 7.058 33 2816.77 7.049 480 2815.43 7.045 846 2808.84 7.029 839 2807.50 7.025 581 2807.13 7.024 531 2803.96 7.017 34 2803.71 7.016 34 2802.86 7.014 34 2800.54 7.008 514 2573.36 6.440 392 2572.51 6.437 420 2570.92 6.433 435 2570.07 6.431 472 2567.87 6.426 48 2567.02 6.424 53 2565.19 6.419 376 2564.58 6.418 500 2564.21 6.417 528 2563.72 6.415 479 2562.74 6.413 477 2562.13 6.411 567 2561.77 6.411 587 2561.28 6.409 531 2557.86 6.401 54 2556.27 6.397 361 2555.42 6.395 435 2553.83 6.391 402 2552.98 6.389 488 2550.05 6.381 739 2549.07 6.379 744 2547.85 6.376 917 2546.88 6.373 852 2543.95 6.366 75 2541.99 6.361 753 2541.14 6.359 707 2539.79 6.356 1000 2538.94 6.353 915 2535.89 6.346 51 2535.16 6.344 39 2534.18 6.341 34 2533.81 6.341 34 2529.79 6.331 514 2529.42 6.330 602 2527.22 6.324 843 2525.15 6.319 433 2524.78 6.318 440 2518.43 6.302 563 2516.24 6.297 914 2513.79 6.290 469 1486.69 3.720 287
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1H NMR 89.56 MHz C6 H6 F N 0.02 ml : 0.5 ml CDCl3 m-fluoroaniline Assign. Shift(ppm)
A 7.06 B 6.56 to 6.23 C 3.64
Hz ppm Int.637.00 7.113 218 636.63 7.109 227 635.88 7.101 225 629.38 7.028 291 622.00 6.946 172 621.44 6.939 176 584.31 6.525 155 583.38 6.514 173 582.25 6.502 186 576.00 6.432 754 574.13 6.411 676 571.13 6.378 358 569.75 6.362 330 568.63 6.350 295 565.25 6.312 393 562.94 6.286 304 560.88 6.263 144 325.88 3.639 1000
in CDCl3
liquid film
OXIDATION WITH PERBENZOIC ACID
