2,3,5,6-Tetrafluoroaniline(700-17-4) MS
Product Name2,3,5,6-Tetrafluoroaniline
CAS700-17-4
Molecular FormulaC6H3F4N
Molecular Weight165.09
InChIInChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKey SPSWJTZNOXMMMV-UHFFFAOYSA-N
SmilesC1(N)=C(F)C(F)=CC(F)=C1F
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MassMS-NW-7082 2,3,5,6-tetrafluoroaniline C6H3F4N (Mass of molecular ion: 165)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 1.4 18.0 7.0 28.0 7.4 31.0 9.5 37.0 1.8 46.0 2.4 51.0 3.0 52.0 1.0 55.0 1.1 56.0 2.5 57.0 2.1 61.0 1.0 64.0 2.1 68.0 3.9 69.0 6.5 70.0 5.1 72.5 1.3 74.0 1.9 75.0 7.4 76.0 3.1 79.0 1.7 80.0 1.6 82.5 6.2 83.0 1.0 87.0 2.5 88.0 9.5 93.0 3.0 94.0 4.7 95.0 5.2 96.0 1.3 98.0 1.1 99.0 10.9 100.0 2.1 106.0 1.5 114.0 1.7 117.0 2.6 118.0 22.4 119.0 7.1 125.0 4.8 126.0 2.9 134.0 5.3 137.0 16.4 138.0 8.3 144.0 3.6 145.0 9.6 146.0 2.1 164.0 5.0 165.0 100.0 166.0 7.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 F4 N 0.042 g : 0.5 ml CDCl3 2,3,5,6-tetrafluoroaniline 
Assign. Shift(ppm)
A 6.399 B 4.02
Hz ppm Int.2575.07 6.444 256 2567.87 6.426 515 2564.82 6.418 519 2560.67 6.408 292 2557.62 6.400 1000 2554.57 6.393 299 2550.42 6.382 537 2547.36 6.374 523 2544.43 6.367 37 2542.97 6.363 44 2540.16 6.356 273 1606.69 4.021 303
KBr disc
nujol mull
