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Back ChemicalBook Home>CAS DataBase List>62-44-2More Spectrum> Phenacetin(62-44-2) 1H NMR

Phenacetin(62-44-2) 1H NMR

Product NamePhenacetin

CAS62-44-2

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


  • 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




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



KBr disc



nujol mull



4880 A,200 M,powder



Phenacetin(62-44-2) 1H NMR Atlas of Related Products

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