Methacetin(51-66-1) MS

Product NameMethacetin

CAS 51-66-1

Molecular FormulaC9H11NO2

Molecular Weight165.19

InChIInChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)

InChIKey XVAIDCNLVLTVFM-UHFFFAOYSA-N

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

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Mass

MS-NW-8139          
4'-methoxyacetanilide
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       2.0
      18.0       2.7
      27.0       1.0
      28.0       1.7
      38.0       1.2
      39.0       2.5
      41.0       3.4
      42.0       1.0
      43.0      18.8
      50.0       1.0
      51.0       2.5
      52.0       6.5
      53.0       5.4
      54.0       1.0
      63.0       2.6
      64.0       2.5
      65.0       4.4
      77.0       1.3
      78.0       1.6
      79.0       2.7
      80.0       8.5
      81.0       1.3
      92.0       2.0
      93.0       1.1
      95.0       6.6
     106.0       1.3
     107.0       1.2
     108.0     100.0
     109.0       7.8
     122.0       9.4
     123.0      70.8
     124.0       7.1
     134.0       1.6
     149.0       1.1
     165.0      74.5
     166.0       7.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.049 g : 0.5 ml CDCl₃
4'-methoxyacetanilide

    Assign.     Shift(ppm)

      A             8.2
      B             7.374
      C             6.805
      D             3.754
      E             2.091

     Hz     ppm     Int.

    732.06   8.174     38
    665.63   7.433    142
    663.44   7.408     56
    658.69   7.355     69
    656.63   7.332    197
    654.19   7.305     32
    654.00   7.303     32
    653.38   7.296     36
    616.44   6.883     36
    613.31   6.849    208
    611.06   6.823     67
    606.31   6.770     60
    604.19   6.747    147
    336.25   3.755   1000
    187.44   2.093    752

in CDCl3