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Back ChemicalBook Home>CAS DataBase List>16715-79-0More Spectrum> 2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS

16715-79-0

2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS

Molecular FormulaC12H15NO4

Molecular Weight237.25

InChIInChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-5-4-9(16-2)7-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)

InChIKey IQWUCASGTZCNKK-UHFFFAOYSA-N

SmilesC(NC1=CC=C(OC)C=C1OC)(=O)CC(=O)C

  • 2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS
    Mass

    MS-IW-2644          
    2',4'-dimethoxyacetoacetanilide
    C12H15NO4           (Mass of molecular ion:    237)
    

       Source Temperature: 160 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.2
          27.0       1.4
          28.0       1.7
          39.0       3.1
          41.0       2.7
          42.0       2.2
          43.0      18.9
          50.0       1.0
          51.0       2.9
          52.0       6.0
          53.0       2.9
          54.0       1.0
          55.0       1.2
          63.0       1.1
          65.0       2.8
          66.0       1.6
          67.0       3.2
          68.0       1.3
          69.0       8.8
          77.0       2.0
          78.0       2.3
          79.0       5.2
          80.0       2.9
          84.0       7.8
          85.0       2.7
          90.0       1.1
          92.0       2.9
          93.0       4.4
          94.0       1.3
          95.0      10.9
         106.0       1.2
         107.0       3.4
         108.0       2.6
         109.0       2.8
         110.0      14.1
         111.0       1.3
         122.0       6.8
         123.0       2.2
         124.0       3.8
         125.0       1.5
         136.0       4.4
         138.0     100.0
         139.0       8.7
         150.0       1.9
         151.0       1.4
         152.0       5.7
         153.0      86.6
         154.0       8.7
         163.0       1.0
         164.0       5.2
         165.0       1.0
         179.0      64.9
         180.0       7.1
         237.0      72.6
         238.0      10.0
         239.0       1.2
    

400 MHz in CDCl3

  • 2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS

    1H NMR 399.65 MHz
    C12 H15 N O4 0.041 g : 0.5 ml CDCl3
    2',4'-dimethoxyacetoacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.02 B 8.176 C 6.474 D 8.450 E *1 3.867 F *1 3.782 G 3.572 J 2.312

         Hz     ppm     Int.
    

       3604.98   9.021     40
       3272.22   8.188    139
       3263.43   8.166    147
       2588.99   6.479    111
       2586.55   6.473    202
       2583.01   6.464    129
       2580.32   6.457     63
       2574.22   6.442     94
       2571.53   6.435     69
       1545.41   3.867    882
       1511.60   3.783   1000
       1427.49   3.572    472
        923.95   2.312    803
    

in CDCl3

  • 2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS

KBr disc

  • 2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS

nujol mull

  • 2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS

2',4'-DIMETHOXYACETOACETANILIDE(16715-79-0) MS Atlas of Related Products

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