4981-63-9

4'-氯苯丁酮(4981-63-9)核磁图(¹³CNMR)

产品名称:4'-氯苯丁酮

CAS:4981-63-9

分子式:C10H11ClO

分子量: 182.65

InChI:InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

InChIKey: XLCJPQYALLFIPW-UHFFFAOYSA-N

Smiles:C(C1=CC=C(Cl)C=C1)(=O)CCC

Mass

MS-KW-0175          
4'-chlorobutyrophenone
C10H11ClO           (Mass of molecular ion:    182)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.7
      39.0       1.8
      41.0       2.3
      43.0       2.6
      50.0       4.3
      51.0       3.1
      55.0       1.5
      63.0       1.1
      74.0       2.1
      75.0      12.7
      76.0       3.3
      77.0       1.5
      85.0       1.2
     111.0      28.6
     112.0       2.7
     113.0       9.4
     114.0       1.0
     128.0       1.3
     129.0       1.8
     139.0     100.0
     140.0       7.7
     141.0      32.4
     142.0       2.5
     147.0      20.3
     148.0       2.2
     154.0       9.6
     156.0       3.1
     164.0       1.2
     167.0       1.4
     182.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₁ Cl O	0.039 g : 0.5 ml CDCl₃
4'-chlorobutyrophenone

    Assign.     Shift(ppm)

      A             7.897
      B             7.421
      C             2.914
      D             1.762
      E             1.002

     Hz     ppm     Int.

   3162.96   7.915     73
   3160.64   7.909    477
   3158.57   7.904    169
   3153.93   7.892    175
   3151.86   7.887    509
   3149.54   7.881     74
   2973.75   7.441     85
   2971.44   7.436    550
   2969.36   7.430    182
   2964.72   7.419    175
   2962.65   7.414    500
   2960.33   7.408     69
   1172.36   2.934    326
   1167.97   2.923     35
   1165.16   2.916    489
   1161.62   2.907     42
   1157.71   2.897    357
    722.78   1.809     42
    715.33   1.790    182
    707.89   1.772    320
    705.44   1.766     31
    700.56   1.753    305
    693.24   1.735    179
    685.91   1.717     47
    407.59   1.020    532
    400.27   1.002   1000
    392.82   0.983    482

in CDCl3