2142-68-9

鄰氯苯乙酮(2142-68-9)質譜(MS)

產品名稱:鄰氯苯乙酮

CAS:2142-68-9

分子式:C8H7ClO

分子量: 154.59

InChI:InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

InChIKey: ZDOYHCIRUPHUHN-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC=C1Cl)C

Mass

MS-NW-7769          
2'-chloroacetophenone
C8H7ClO             (Mass of molecular ion:    154)

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

      14.0       1.1
      15.0       5.6
      27.0       1.5
      37.0       2.4
      38.0       2.9
      39.0       3.5
      42.0       1.9
      43.0      25.0
      49.0       1.9
      50.0      15.4
      51.0       8.9
      61.0       2.0
      62.0       2.3
      63.0       3.7
      73.0       2.3
      74.0       7.8
      75.0      22.5
      76.0       7.3
      77.0       4.4
      84.0       1.2
      85.0       3.2
      87.0       1.4
      89.0       2.6
      91.0       1.8
     104.0       1.4
     111.0      36.2
     112.0       4.9
     113.0      11.8
     114.0       1.5
     139.0     100.0
     140.0       8.1
     141.0      32.7
     142.0       2.7
     154.0      18.8
     155.0       1.8
     156.0       6.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ Cl O	0.05 ml : 0.5 ml CDCl₃
2'-chloroacetophenone

    Assign.     Shift(ppm)

      A             7.539
      B             7.39
      C             7.37
      D             7.310
      E             2.619
     
     CONFIRMED BY LAOCN CALCULATION

     Hz     ppm     Int.

   3018.07   7.552    101
   3017.33   7.550    112
   3016.60   7.549    101
   3015.75   7.546     94
   3010.50   7.533    121
   3010.01   7.532    125
   3008.79   7.529    119
   3008.30   7.528    112
   2961.67   7.411     32
   2960.21   7.408     51
   2959.72   7.406     53
   2954.47   7.393    200
   2953.74   7.391    260
   2952.15   7.387    259
   2947.14   7.375    169
   2945.43   7.371    147
   2939.21   7.355     61
   2937.50   7.351     53
   2928.59   7.328    120
   2926.39   7.323    105
   2922.24   7.312     80
   2921.02   7.309    112
   2919.92   7.307     82
   2919.07   7.305     93
   2914.43   7.293     63
   2912.35   7.288     56
   1050.17   2.628   1000
   1046.75   2.620     58

in CDCl3