4-Aminophenylacetonitrile(3544-25-0) MS
Product Name4-Aminophenylacetonitrile
CAS3544-25-0
Molecular FormulaC8H8N2
Molecular Weight132.16
InChIInChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
InChIKey YCWRFIYBUQBHJI-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=C(N)C=C1
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MassMS-NW-7093 (p-aminophenyl)acetonitrile C8H8N2 (Mass of molecular ion: 132)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.0 27.0 2.8 28.0 5.7 37.0 1.5 38.0 2.7 39.0 6.3 40.0 1.5 41.0 2.8 42.0 1.1 50.0 4.2 51.0 8.7 52.0 7.8 52.5 1.0 53.0 3.0 54.0 2.1 61.0 1.1 62.0 2.3 63.0 4.5 64.0 2.5 65.0 5.7 66.0 5.9 74.0 1.1 75.0 2.2 76.0 4.1 77.0 15.1 78.0 8.2 79.0 2.8 80.0 1.5 88.0 1.0 89.0 1.4 90.0 1.2 91.0 1.8 93.0 1.4 102.0 1.9 103.0 2.0 104.0 22.5 105.0 11.2 106.0 12.0 107.0 1.1 115.0 1.5 116.0 2.0 129.0 1.0 131.0 100.0 132.0 93.8 133.0 8.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 N2 0.040 g : 0.5 ml CDCl3 (p-aminophenyl)acetonitrile 
Assign. Shift(ppm)
A 7.05 B 6.645 C 3.72 D 3.588
Hz ppm Int.640.00 7.147 40 639.44 7.140 49 636.81 7.111 334 636.19 7.104 249 634.63 7.087 126 630.44 7.040 165 628.69 7.020 396 628.13 7.014 481 626.31 6.994 71 625.63 6.986 78 625.00 6.979 51 601.06 6.712 99 598.56 6.684 639 596.38 6.660 184 594.38 6.637 38 592.06 6.611 159 589.94 6.588 392 587.31 6.558 49 333.63 3.726 102 321.44 3.590 1000
in CDCl3
KBr disc
nujol mull
