Acetoacet-p-phenetidide (122-82-7) MS

Product NameAcetoacet-p-phenetidide

CAS 122-82-7

Molecular FormulaC12H15NO3

Molecular Weight221.25

InChIInChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)

InChIKey WWROGCAUSKGAMX-UHFFFAOYSA-N

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

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Mass

MS2004-02298WA      
p-acetoacetophenetidide
C12H15NO3           (Mass of molecular ion:    221)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      27.0       2.8
      29.0       3.1
      39.0       1.9
      42.0       1.2
      43.0      28.4
      51.0       1.4
      52.0       4.0
      53.0       4.9
      63.0       1.8
      64.0       1.7
      65.0       3.0
      69.0       1.3
      78.0       1.2
      79.0       2.5
      80.0       7.9
      81.0       9.7
      85.0       4.9
      91.0       1.1
      92.0       1.3
      93.0       1.0
     107.0       5.5
     108.0     100.0
     109.0      81.4
     110.0       6.4
     122.0       1.7
     134.0       1.3
     135.0      50.3
     136.0       5.9
     137.0      51.6
     138.0       5.2
     150.0       2.0
     163.0      71.8
     164.0       7.6
     178.0       1.0
     221.0      92.3
     222.0      13.1
     223.0       1.4

in CDCl3