3544-25-0

對氨基苯乙腈(3544-25-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:對氨基苯乙腈

CAS:3544-25-0

分子式:C8H8N2

分子量: 132.16

InChI:InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2

InChIKey: YCWRFIYBUQBHJI-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=C(N)C=C1

Mass

MS-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

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