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34841-35-5

3-氯苯丙酮(34841-35-5)核磁图(1HNMR)

产品名称:3-氯苯丙酮

CAS:34841-35-5

分子式:C9H9ClO

分子量: 168.62

InChI:InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey: PQWGFUFROKIJBO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7803          
    3'-chloropropiophenone
    C9H9ClO             (Mass of molecular ion:    168)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0       6.1
          29.0       5.6
          38.0       1.3
          39.0       1.3
          50.0      10.6
          51.0       5.6
          55.0       1.3
          57.0       1.9
          61.0       1.1
          62.0       1.0
          63.0       1.6
          73.0       1.5
          74.0       6.2
          75.0      22.5
          76.0       7.3
          77.0       3.1
          85.0       2.7
          87.0       1.0
         104.0       1.1
         111.0      38.9
         112.0       3.1
         113.0      12.4
         133.0       1.1
         139.0     100.0
         140.0       8.0
         141.0      32.1
         142.0       2.5
         168.0      16.5
         169.0       1.8
         170.0       5.4
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C9 H9 Cl O 0.081 g : 0.5 ml CDCl3
    3'-chloropropiophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.92 B 7.85 C 7.50 D 7.40 E 2.969 F 1.220 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        711.19   7.941    137
        710.31   7.932    173
        709.38   7.921    291
        707.56   7.901    251
        707.00   7.895    239
        706.25   7.886    198
        704.44   7.866    210
        702.63   7.846    107
        701.56   7.834     58
        701.25   7.830     56
        699.19   7.807    160
        697.44   7.788    232
        695.69   7.768    144
        679.50   7.588     50
        677.63   7.567     98
        675.63   7.544     77
        671.44   7.498    242
        669.63   7.477    385
        667.81   7.457    375
        663.81   7.412     51
        662.25   7.395     62
        660.88   7.380    189
        660.31   7.373    214
        652.44   7.285    172
        277.19   3.096    128
        277.00   3.093    128
        269.81   3.013    454
        266.69   2.978     56
        266.25   2.973     54
        262.63   2.933    496
        258.81   2.890     43
        257.56   2.876     42
        255.50   2.853    172
        116.19   1.298    524
        112.69   1.259     75
        109.06   1.218   1000
        101.75   1.137    433
    

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in CDCl3

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KBr disk

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Nujol

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4880 A,200 M,powder

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