Acetaminophen(103-90-2) IR2

Product NameAcetaminophen

CAS 103-90-2

Molecular FormulaC8H9NO2

Molecular Weight151.16

InChIInChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)

InChIKey RZVAJINKPMORJF-UHFFFAOYSA-N

SmilesC(NC1=CC=C(O)C=C1)(=O)C

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Acetaminophen(103-90-2) IR2
Mass

MS-IW-3901          
4'-hydroxyacetanilide
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.0
      17.0       1.0
      18.0       4.7
      27.0       2.2
      28.0       1.8
      39.0       2.1
      42.0       1.1
      43.0      15.4
      51.0       1.7
      52.0       4.7
      53.0       6.3
      54.0       1.8
      55.0       1.5
      63.0       1.3
      65.0       1.5
      79.0       1.0
      80.0      12.7
      81.0       9.1
      82.0       1.7
     107.0       1.0
     108.0      11.6
     109.0     100.0
     110.0       8.0
     151.0      44.1
     152.0       4.1

400 MHz in DMSO-d6

Acetaminophen(103-90-2) IR2

¹H NMR	399.65 MHz
C₈ H₉ N O₂	0.034 g : 0.5 ml DMSO-d₆
4'-hydroxyacetanilide

    Assign.     Shift(ppm)

      A     *1      9.66
      B     *1      9.14
      C             7.350
      D             6.688
      E             1.987

     Hz     ppm     Int.

   3859.41   9.657    101
   3654.63   9.145    458
   2945.56   7.371     24
   2942.20   7.362    262
   2940.06   7.357     85
   2935.49   7.346     90
   2933.35   7.340    275
   2929.99   7.332     34
   2680.82   6.708     28
   2677.46   6.700    290
   2675.32   6.695     91
   2670.75   6.683     86
   2668.61   6.678    271
   2665.25   6.669     32
    794.37   1.988   1000

in DMSO-d6