2'-甲基乙酰乙酰苯胺(93-68-5)紅外圖譜(IR2)

產(chǎn)品名稱:2'-甲基乙酰乙酰苯胺

CAS:93-68-5

分子式:C11H13NO2

分子量: 191.23

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

InChIKey: TVZIWRMELPWPPR-UHFFFAOYSA-N

Smiles:C(NC1=CC=CC=C1C)(=O)CC(=O)C

Mass

MS-NW-0314          
2'-methylacetoacetanilide
C11H13NO2           (Mass of molecular ion:    191)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.0
      27.0       1.6
      39.0       3.3
      43.0      24.4
      50.0       1.1
      51.0       2.9
      52.0       2.0
      53.0       1.3
      58.0       2.2
      63.0       1.2
      65.0       2.7
      77.0       7.6
      78.0       3.7
      79.0       3.6
      85.0       4.0
      89.0       1.4
      90.0       1.4
      91.0       4.3
     104.0       3.4
     105.0       3.1
     106.0      34.4
     107.0     100.0
     108.0       8.4
     132.0       1.0
     133.0      19.3
     134.0       3.5
     191.0      35.3
     192.0       4.5

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₃ N O₂	0.042 g : 0.5 ml CDCl₃
2'-methylacetoacetanilide

    Assign.     Shift(ppm)

      A             9.1
      B             7.89
      C          7.34 to 6.91
      D             3.604
      E             2.313

     Hz     ppm     Int.

    711.88   7.949     33
    704.06   7.862     34
    703.25   7.853     28
    702.19   7.841     31
    646.88   7.223     38
    646.25   7.216     37
    644.19   7.193     61
    641.69   7.165     75
    641.25   7.161     72
    639.88   7.145     71
    639.25   7.138     77
    637.88   7.123    129
    635.75   7.099     88
    631.31   7.050     23
    629.69   7.031     23
    322.75   3.604    269
    207.13   2.313   1000
    202.31   2.259     28

¹H NMR	399.65 MHz
C₁₁ H₁₃ N O₂	0.040 g : 0.5 ml CDCl₃
2'-methylacetoacetanilide

    Assign.     Shift(ppm)

      A             9.17
      B             7.874
      C             7.18
      D             7.17
      E             7.060
      F             3.590
      G             2.306
      J             2.298

     Hz     ppm     Int.

   3665.41   9.172     37
   3152.34   7.888    100
   3144.41   7.868    103
   3143.07   7.865     80
   2877.93   7.202     55
   2871.34   7.185    185
   2863.89   7.166    179
   2828.25   7.077     74
   2827.15   7.075     75
   2820.80   7.059    105
   2813.35   7.040     42
   2812.13   7.037     41
   1435.06   3.591    603
    921.88   2.307    808
    918.70   2.299   1000

in CDCl3