4-Aminoacetophenone(99-92-3) IR3

Product Name4-Aminoacetophenone

CAS 99-92-3

Molecular FormulaC8H9NO

Molecular Weight135.16

InChIInChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3

InChIKey GPRYKVSEZCQIHD-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(N)C=C1)C

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Mass

MS-NW-1557          
4'-aminoacetophenone
C8H9NO              (Mass of molecular ion:    135)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.1
      18.0       1.7
      27.0       1.3
      28.0       1.9
      37.0       1.2
      38.0       3.5
      39.0      12.1
      40.0       1.3
      41.0       3.9
      42.0       1.4
      43.0       7.1
      45.5       1.1
      46.0       3.1
      50.0       2.5
      51.0       2.8
      52.0       4.4
      53.0       1.5
      53.5       2.2
      54.0       1.4
      60.0       2.1
      61.0       1.3
      62.0       2.4
      63.0       5.9
      64.0       4.8
      65.0      34.4
      66.0       5.3
      77.0       2.8
      78.0       1.0
      79.0       1.7
      91.0       3.6
      92.0      48.4
      93.0       4.2
     106.0       2.6
     119.0       1.0
     120.0     100.0
     121.0       8.4
     135.0      48.0
     136.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N O	0.047 g : 0.5 ml CDCl₃
4'-aminoacetophenone

    Assign.     Shift(ppm)

      A             7.789
      B             6.634
      C             4.31
      D             2.490

     Hz     ppm     Int.

    704.69   7.869     26
    702.06   7.839    145
    700.06   7.817     50
    695.38   7.765     60
    693.25   7.741    164
    690.69   7.713     22
    600.63   6.707     33
    598.13   6.679    206
    596.00   6.655     61
    591.31   6.603     60
    589.25   6.580    168
    386.31   4.314     35
    223.06   2.491   1000
    220.13   2.458     28

in CDCl3