Phenacetin(62-44-2) IR1

Product NamePhenacetin

CAS 62-44-2

Molecular FormulaC10H13NO2

Molecular Weight179.22

InChIInChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

InChIKey CPJSUEIXXCENMM-UHFFFAOYSA-N

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

Request For Quotation

Phenacetin(62-44-2) IR1
Mass

MS-NW-1544          
p-acetophenetidine
C10H13NO2           (Mass of molecular ion:    179)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       4.0
      18.0       3.1
      26.0       1.4
      27.0       7.4
      28.0       1.9
      29.0       6.2
      38.0       1.2
      39.0       3.3
      41.0       1.0
      42.0       1.6
      43.0      32.4
      44.0       1.1
      50.0       1.1
      51.0       2.5
      52.0       7.4
      53.0      10.1
      54.0       1.8
      55.0       1.0
      62.0       1.0
      63.0       3.4
      64.0       3.1
      65.0       5.1
      66.0       1.0
      78.0       1.1
      79.0       2.7
      80.0      14.3
      81.0      13.1
      82.0       1.1
      91.0       1.4
      92.0       1.7
      93.0       1.3
     107.0       2.1
     108.0     100.0
     109.0      90.2
     110.0       7.0
     135.0       1.6
     136.0       2.3
     137.0      48.2
     138.0       5.5
     150.0       1.2
     179.0      67.4
     180.0       7.9

in CDCl3

90 MHz in CDCl3

Phenacetin(62-44-2) IR1

¹H NMR	89.56 MHz
C₁₀ H₁₃ N O₂	0.045 g : 0.5 ml CDCl₃
p-acetophenetidine

    Assign.     Shift(ppm)

      A             7.94
      B             7.36
      C             6.80
      D             3.976
      E             2.092
      F             1.380

     Hz     ppm     Int.

    711.44   7.944     55
    664.06   7.415    199
    662.00   7.392     82
    657.25   7.339     92
    655.06   7.315    281
    651.38   7.274     49
    616.06   6.879     47
    612.88   6.844    308
    610.75   6.820    101
    606.00   6.767     83
    603.88   6.743    213
    366.94   4.098     81
    359.88   4.019    265
    352.94   3.941    279
    346.00   3.864     97
    187.38   2.093   1000
    130.31   1.456    307
    123.38   1.378    600
    116.38   1.300    271

in CDCl3