2415-85-2

N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) MS

Product NameN-(4-Methylphenyl)-3-oxobutanamide

CAS 2415-85-2

Molecular FormulaC11H13NO2

Molecular Weight191.23

InChIInChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)

InChIKey MJGLMEMIYDUEHA-UHFFFAOYSA-N

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

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N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) MS
Mass

MS-NW-7956          
N-(p-tolyl)acetoacetamide
C11H13NO2           (Mass of molecular ion:    191)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       2.4
      27.0       2.9
      28.0       1.6
      39.0       4.6
      41.0       1.4
      42.0       1.2
      43.0      29.6
      50.0       1.6
      51.0       4.4
      52.0       3.5
      53.0       2.4
      58.0       1.5
      63.0       1.8
      65.0       3.8
      77.0      11.6
      78.0       4.8
      79.0       6.4
      80.0       1.3
      85.0       3.2
      89.0       1.0
      91.0       4.8
     104.0       3.1
     105.0       3.0
     106.0      47.7
     107.0     100.0
     108.0       8.6
     120.0       1.3
     132.0       2.5
     133.0      26.7
     134.0       3.0
     148.0       1.3
     191.0      38.3
     192.0       5.3

400 MHz in CDCl3

N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) MS

¹H NMR	399.65 MHz
C₁₁ H₁₃ N O₂	0.033 g : 0.5 ml CDCl₃
N-(p-tolyl)acetoacetamide

    Assign.     Shift(ppm)

      A             9.1
      B             7.408
      C             7.108
      D             3.544
      E             2.302
      F             2.289

     Hz     ppm     Int.

   3627.56   9.077     38
   2967.53   7.426     37
   2965.21   7.420    212
   2963.26   7.415     78
   2958.62   7.404     88
   2956.67   7.399    243
   2954.35   7.393     37
   2844.36   7.118    189
   2836.18   7.097    166
   1416.63   3.545    563
    920.17   2.303    703
    914.92   2.290   1000

in CDCl3