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104-88-1

对氯苯甲醛(104-88-1)红外图谱(IR1)

产品名称:对氯苯甲醛

CAS:104-88-1

分子式:C7H5ClO

分子量: 140.57

InChI:InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1836          
    p-chlorobenzaldehyde
    C7H5ClO             (Mass of molecular ion:    140)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.8
          27.0       3.7
          28.0       1.0
          29.0       8.1
          36.0       1.8
          37.0       9.9
          37.5       1.8
          38.0      10.8
          39.0       4.2
          48.0       1.0
          49.0       7.4
          50.0      53.5
          51.0      36.5
          52.0       4.5
          53.0       1.6
          60.0       1.7
          61.0       5.2
          62.0       3.7
          63.0       2.9
          72.0       1.4
          73.0       9.1
          74.0      29.8
          75.0      52.2
          76.0      16.6
          77.0      31.8
          78.0       2.1
          84.0       3.3
          85.0       6.9
          86.0       2.2
          87.0       2.4
         104.0       2.0
         110.0       1.2
         111.0      64.9
         112.0      13.9
         113.0      21.4
         114.0       4.1
         139.0     100.0
         140.0      73.2
         141.0      37.2
         142.0      23.4
         143.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H5 Cl O 0.045 g : 0.5 ml CDCl3
    p-chlorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.99 B 7.82 C 7.52

         Hz     ppm     Int.
    

        894.69   9.990    565
        894.25   9.985    901
        893.81   9.981    465
        707.81   7.904     86
        705.75   7.881    626
        705.25   7.875    390
        703.75   7.858    272
        699.19   7.807    350
        697.44   7.788    745
        697.00   7.783   1000
        695.13   7.762    214
        679.00   7.582    122
        678.56   7.577    143
        676.69   7.556    877
        674.94   7.537    258
        674.50   7.532    249
        673.88   7.525     60
        670.38   7.486    187
        669.94   7.481    185
        668.88   7.469    299
        668.31   7.463    489
        667.88   7.458    391
        666.31   7.440     78
        665.88   7.436     66
    

in CDCl3

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CCl4 solution

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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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