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618-48-4

间氯苯甲酰胺(618-48-4)Raman光谱

产品名称:间氯苯甲酰胺

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

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    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

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

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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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