16715-79-0

2',4'-二甲氧基乙酰乙酰苯胺(16715-79-0)质谱(MS)

产品名称:2',4'-二甲氧基乙酰乙酰苯胺

CAS:16715-79-0

分子式:C12H15NO4

分子量: 237.25

InChI:InChI=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

Smiles:C(NC1=CC=C(OC)C=C1OC)(=O)CC(=O)C

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

¹H NMR	399.65 MHz
C₁₂ H₁₅ N O₄	0.041 g : 0.5 ml CDCl₃
2',4'-dimethoxyacetoacetanilide

    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