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返回ChemicalBook首页>CAS数据库列表>88419-56-1更多图谱> 2,4,5-三氟苯甲酰氯(88419-56-1)核磁图(1HNMR)

88419-56-1

2,4,5-三氟苯甲酰氯(88419-56-1)核磁图(1HNMR)

分子式:C7H2ClF3O

分子量: 194.54

InChI:InChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H

InChIKey: STBGCAUUOPNJBH-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C1=CC(F)=C(F)C=C1F

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    Mass

    MS-IW-9722          
    2,4,5-trifluorobenzoyl chloride
    C7H2ClF3O           (Mass of molecular ion:    194)
    

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

          28.0       2.5
          31.0       5.0
          36.0       1.5
          37.0       1.7
          50.0       1.0
          56.0       1.7
          57.0       1.2
          61.0       3.7
          62.0       3.6
          68.0       1.7
          74.0       1.0
          75.0       3.5
          79.0       1.1
          79.5       6.2
          80.0       4.1
          81.0      29.2
          82.0       1.6
          87.0       1.1
          92.0       1.1
          99.0       2.3
         112.0       1.5
         130.0       2.0
         131.0      41.1
         132.0       2.9
         157.0       1.3
         159.0     100.0
         160.0       7.6
         176.0       1.5
         194.0       3.5
         196.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H2 Cl F3 O 0.05 ml : 0.5 ml CDCl3
    2,4,5-trifluorobenzoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.007 B 7.120

         Hz     ppm     Int.
    

       3212.77   8.039    493
       3212.40   8.039    495
       3206.18   8.023    537
       3205.81   8.022    536
       3204.22   8.018    564
       3203.86   8.017    554
       3202.64   8.014    564
       3202.27   8.013    550
       3197.63   8.002    559
       3197.27   8.001    549
       3196.04   7.998    573
       3195.68   7.997    553
       3194.09   7.993    544
       3187.50   7.976    505
       2858.64   7.153    514
       2858.28   7.152    505
       2852.42   7.138    556
       2848.75   7.129    983
       2845.46   7.120    114
       2842.53   7.113   1000
       2838.87   7.104    540
       2833.01   7.089    566
    

in CDCl3

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liquid film

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