Phthalimidoacetone(3416-57-7) ¹³C NMR

Product NamePhthalimidoacetone

CAS 3416-57-7

Molecular FormulaC11H9NO3

Molecular Weight203.19

InChIInChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3

InChIKey STMRGLKPBJVVEG-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C(=O)N1CC(=O)C

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Mass

MS-IW-6467          
N-acetonylphthalimide
C11H9NO3            (Mass of molecular ion:    203)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      43.0       6.6
      50.0       3.8
      51.0       2.4
      66.0       1.0
      74.0       1.6
      75.0       2.4
      76.0       8.8
      77.0      10.2
      78.0       1.1
     104.0       9.2
     105.0       5.1
     117.0       2.4
     130.0       1.6
     132.0       3.6
     133.0      10.5
     160.0     100.0
     161.0      78.0
     162.0       8.1
     203.0      21.4
     204.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₉ N O₃	0.040 g : 0.5 ml CDCl₃
N-acetonylphthalimide

    Assign.     Shift(ppm)

      A             7.868
      B             7.742
      C             4.510
      D             2.272

     Hz     ppm     Int.

   3152.83   7.889     22
   3149.05   7.880    208
   3146.00   7.872    206
   3143.80   7.867    159
   3143.43   7.866    165
   3140.63   7.859    273
   3136.60   7.849     31
   3135.50   7.846     26
   3103.52   7.766     28
   3102.29   7.763     36
   3098.39   7.753    268
   3095.46   7.746    163
   3092.90   7.740    199
   3089.84   7.732    214
   1802.37   4.510    641
    908.20   2.273   1000
    905.03   2.265     28

in CDCl3