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347-93-3

3'-氯-4-氟苯丙酮(347-93-3)红外图谱(IR1)

产品名称:3'-氯-4-氟苯丙酮

CAS:347-93-3

分子式:C9H8ClFO

分子量: 186.61

InChI:InChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

InChIKey: AAHQPLJUSLMHHR-UHFFFAOYSA-N

Smiles:C(C1=CC=C(F)C=C1)(=O)CCCl

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    Mass

    MS-KW-0280          
    3-chloro-4'-fluoropropiophenone
    C9H8ClFO            (Mass of molecular ion:    186)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       4.0
          36.0       3.3
          38.0       1.3
          50.0       3.1
          51.0       2.3
          55.0       3.6
          63.0       1.6
          68.0       1.3
          69.0       2.4
          74.0       2.0
          75.0      12.3
          76.0       1.1
          94.0       2.6
          95.0      38.7
          96.0       3.3
         101.0       1.0
         122.0       2.2
         123.0     100.0
         124.0       7.7
         149.0       1.5
         150.0       9.4
         151.0       6.3
         186.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9H8ClFO 0.041 g : 0.5 ml CDCl3
    3-chloro-4'-fluoropropiophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.993 B 7.154 C 3.918 D 3.439

         Hz     ppm     Int.
    

       3205.57   8.019     56
       3202.64   8.011    367
       3200.57   8.006    158
       3197.39   7.998    381
       3195.81   7.994    187
       3193.85   7.989    397
       3190.68   7.982    159
       3188.48   7.976    382
       3185.43   7.968     56
       2871.46   7.183     59
       2868.54   7.176    404
       2866.46   7.171    129
       2863.04   7.162     78
       2861.70   7.159    149
       2860.11   7.155    571
       2859.87   7.154    568
       2858.28   7.150    163
       2856.82   7.146     73
       2853.40   7.138    122
       2851.32   7.133    367
       2848.27   7.125     52
       1573.37   3.936    476
       1566.66   3.919   1000
       1559.94   3.902    550
       1381.11   3.455    543
       1374.39   3.438    978
       1367.68   3.422    452
    

in CDCl3

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KBr disk

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Nujol

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