609-65-4

鄰氯苯甲酰氯(609-65-4)紅外圖譜(IR2)

產(chǎn)品名稱:鄰氯苯甲酰氯

CAS:609-65-4

分子式:C7H4Cl2O

分子量: 175.01

InChI:InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H

InChIKey: ONIKNECPXCLUHT-UHFFFAOYSA-N

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

Mass

MS-NW-0866          
o-chlorobenzoyl chloride
C7H4Cl2O            (Mass of molecular ion:    174)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       2.4
      36.0       1.8
      37.0       3.6
      37.5       3.2
      38.0       6.7
      39.0       1.0
      49.0       2.7
      50.0      15.6
      51.0       5.0
      55.5       3.4
      56.5       1.0
      61.0       1.9
      69.5       3.2
      70.0       4.4
      70.5       1.5
      71.0       1.0
      73.0       3.2
      74.0       9.3
      75.0      26.7
      76.0       5.7
      84.0       2.1
      85.0       3.7
      87.0       1.3
     110.0       1.0
     111.0      39.3
     112.0       3.0
     113.0      12.9
     139.0     100.0
     140.0       7.8
     141.0      33.2
     142.0       2.5
     174.0       4.0
     176.0       2.5

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₄ Cl₂ O	0.04 ml : 0.5 ml CDCl₃
o-chlorobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.07
      B          7.68 to 7.25

     Hz     ppm     Int.

    728.75   8.138    171
    727.38   8.122    171
    727.00   8.118    197
    724.94   8.095    148
    721.81   8.060    152
    720.81   8.049    207
    720.44   8.045    183
    718.69   8.025    207
    716.94   8.006     61
    685.00   7.649     41
    677.94   7.570     34
    675.44   7.542    185
    674.50   7.532    107
    674.00   7.526    198
    673.19   7.517    237
    671.69   7.500    562
    671.06   7.493    619
    669.81   7.479   1000
    667.50   7.454    273
    666.31   7.440     76
    665.44   7.431    109
    664.69   7.422     37
    662.88   7.402    261
    660.13   7.371     60
    659.38   7.363    105
    657.38   7.341     99
    653.88   7.302     71
    650.31   7.262     31

¹H NMR	399.65 MHz
C₇ H₄ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
o-chlorobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.084
      B             7.527
      C             7.483
      D             7.416

     Hz     ppm     Int.

   3245.00   8.120     30
   3244.51   8.119     30
   3242.31   8.113     37
   3235.60   8.097    659
   3234.25   8.093    649
   3231.45   8.086     90
   3227.66   8.077    667
   3226.32   8.073    654
   3025.15   7.570     33
   3022.34   7.563     49
   3018.55   7.553    294
   3016.85   7.549    302
   3011.35   7.535    451
   3010.50   7.533    637
   3009.77   7.532    509
   3008.79   7.529    596
   3003.30   7.515    770
   3001.71   7.511    711
   2998.90   7.504     99
   2996.83   7.499    113
   2993.41   7.491    876
   2992.31   7.488   1000
   2989.87   7.482    171
   2987.79   7.477    108
   2985.35   7.470    494
   2984.25   7.468    414
   2980.96   7.459    105
   2978.39   7.453     48
   2975.46   7.446     59
   2971.56   7.436    580
   2970.09   7.432    508
   2967.77   7.426     86
   2967.04   7.425     87
   2964.36   7.418    528
   2963.62   7.416    666
   2962.89   7.414    566
   2962.16   7.412    551
   2958.74   7.404     60
   2958.50   7.403     60
   2956.54   7.398    382
   2954.96   7.394    359

in CDCl3