1131-01-7

2,6-二甲基氯代乙酰苯胺(1131-01-7)質(zhì)譜(MS)

產(chǎn)品名稱:2,6-二甲基氯代乙酰苯胺

CAS:1131-01-7

分子式:C10H12ClNO

分子量: 197.66

InChI:InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey: FPQQSNUTBWFFLB-UHFFFAOYSA-N

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

Mass

MS2014-05048CW      
2-chloro-2',6'-dimethylacetanilide
C10H12ClNO          (Mass of molecular ion:    197)

   Source Temperature: 240 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      18.0       2.3
      27.0       3.9
      28.0       2.5
      30.0       1.8
      38.0       1.2
      39.0       9.1
      40.0       1.3
      41.0       3.3
      42.0       3.2
      49.0       5.3
      50.0       2.3
      51.0       6.7
      52.0       4.1
      53.0       4.4
      54.0       1.4
      62.0       1.2
      63.0       4.1
      64.0       1.7
      65.0       8.8
      66.0       1.9
      76.0       1.3
      77.0      19.7
      78.0       5.9
      79.0       5.6
      80.0       1.7
      89.0       2.2
      90.0       1.3
      91.0      19.9
      92.0       5.2
      93.0       6.2
      94.0       1.3
     102.0       1.7
     103.0       6.0
     104.0       5.6
     105.0      15.5
     106.0      17.2
     107.0       2.6
     116.0       1.1
     117.0       3.0
     118.0       6.9
     119.0       5.2
     120.0      43.7
     121.0      28.1
     122.0       6.2
     130.0       1.9
     132.0       1.9
     133.0       4.3
     134.0       2.4
     144.0       2.0
     146.0       2.6
     147.0       2.9
     148.0     100.0
     149.0      10.2
     160.0       1.4
     162.0       2.3
     182.0       3.0
     184.0       1.0
     197.0      28.9
     198.0       4.3
     199.0       9.7
     200.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ Cl N O	0.036 g : 0.5 ml CDCl₃
2-chloro-2',6'-dimethylacetanilide

    Assign.     Shift(ppm)

      A             7.88
      B             7.118
      C             7.077
      D             4.201
      E             2.212

     Hz     ppm     Int.

   2855.10   7.145     24
   2849.24   7.130     42
   2846.19   7.122     51
   2840.33   7.108    113
   2831.05   7.084    186
   2830.69   7.083    185
   2824.58   7.068     54
   2822.39   7.063     51
   1679.20   4.202    741
    884.16   2.213   1000

in CDCl3