618-48-4

間氯苯甲酰胺(618-48-4)質譜(MS)

產(chǎn)品名稱:間氯苯甲酰胺

CAS:618-48-4

分子式:C7H6ClNO

分子量: 155.58

InChI:InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey: MJTGQALMWUUPQM-UHFFFAOYSA-N

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

Mass

MS-NW-0261          
m-chlorobenzamide
C7H6ClNO            (Mass of molecular ion:    155)

   Source Temperature: 150 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.0
      37.0       1.6
      38.0       2.5
      39.0       1.1
      44.0       8.1
      49.0       1.2
      50.0      11.0
      51.0       6.3
      61.0       1.0
      63.0       1.0
      63.5       1.5
      65.0       1.1
      73.0       1.9
      74.0       7.1
      75.0      22.1
      76.0       6.6
      77.0       5.2
      84.0       1.0
      85.0       2.5
     110.0       1.1
     111.0      48.3
     112.0       5.3
     113.0      15.6
     114.0       1.5
     139.0     100.0
     140.0       8.0
     141.0      32.3
     142.0       2.6
     155.0      72.3
     156.0       6.0
     157.0      23.5
     158.0       1.9

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ Cl N O	0.040 g : 0.5 ml DMSO-d₆
m-chlorobenzamide

    Assign.     Shift(ppm)

      A     *1      8.16
      B             7.957
      C             7.881
      D             7.62
      E     *1      7.60
      F             7.521

     Hz     ppm     Int.

   3260.86   8.160    300
   3182.50   7.964    604
   3180.66   7.959   1000
   3178.96   7.955    661
   3154.91   7.895    401
   3153.81   7.892    535
   3152.22   7.888    388
   3147.22   7.875    448
   3146.00   7.872    568
   3144.53   7.869    414
   3048.95   7.630    376
   3047.85   7.627    439
   3046.88   7.624    410
   3045.78   7.622    420
   3040.89   7.609    755
   3039.92   7.607    809
   3038.82   7.604    849
   3037.72   7.601    738
   3012.82   7.539    685
   3005.00   7.520    996
   2997.19   7.500    418

¹H NMR	89.56 MHz
C₇ H₆ Cl N O	0.035 g : 0.5 ml DMSO-d₆
m-chlorobenzamide

    Assign.     Shift(ppm)

      A     *1      8.09
      B             7.93
      C             7.86
      D             7.59
      E     *1      7.54
      F             7.52

     Hz     ppm     Int.

    724.69   8.092    141
    716.44   8.000     77
    715.69   7.992     77
    714.63   7.980     96
    712.56   7.957    245
    711.00   7.939    588
    710.38   7.932    512
    709.00   7.917    707
    708.38   7.910    456
    707.19   7.897    395
    705.25   7.875    182
    704.06   7.862     95
    702.31   7.842    327
    700.88   7.826    336
    700.31   7.820    402
    698.69   7.802    286
    696.81   7.781     66
    696.31   7.775     56
    695.88   7.770     53
    694.56   7.756     50
    694.44   7.754     50
    693.75   7.747     51
    693.38   7.743     48
    692.94   7.738     50
    692.50   7.733     45
    691.88   7.726     47
    691.56   7.722     47
    690.69   7.713     50
    690.19   7.707     51
    688.81   7.692     59
    687.94   7.682     95
    687.31   7.675     73
    685.94   7.660    194
    683.88   7.637    173
    679.94   7.593    604
    678.06   7.572   1000
    676.69   7.556    680
    676.00   7.549    504
    674.63   7.533    207
    673.94   7.526    192
    672.69   7.512    186
    670.81   7.491    430
    670.19   7.484    415
    668.88   7.469    160
    666.69   7.445     77
    666.25   7.440     69
    665.63   7.433     63
    664.63   7.422     59
    664.25   7.417     54
    663.94   7.414     60
    662.88   7.402    127
    662.31   7.396    113

DMSO-d6