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Back ChemicalBook Home>CAS DataBase List>2415-85-2More Spectrum> N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) IR2

N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) IR2

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


  • 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


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



KBr disc



nujol mull



N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) IR2 Atlas of Related Products

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