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455-86-7

3,4-二氟苯甲酸(455-86-7)核磁图(13CNMR)

产品名称:3,4-二氟苯甲酸

CAS:455-86-7

分子式:C7H4F2O2

分子量: 158.1

InChI:InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

InChIKey: FPENCTDAQQQKNY-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9216          
    3,4-difluorobenzoic acid
    C7H4F2O2            (Mass of molecular ion:    158)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       1.1
          31.0       3.1
          37.0       2.1
          38.0       1.2
          45.0       3.6
          50.0       4.2
          51.0       1.4
          56.0       1.6
          56.5       1.8
          57.0       3.2
          61.0       3.4
          62.0       6.1
          63.0      24.9
          64.0       1.8
          65.0       1.2
          68.0       4.2
          69.0       2.1
          70.5       2.7
          73.0       1.0
          74.0       3.4
          75.0       2.8
          81.0       3.0
          83.0       1.0
          87.0       1.4
          88.0       2.6
          92.0       1.6
          93.0       4.1
          94.0       2.9
         101.0       2.0
         112.0       4.1
         113.0      65.9
         114.0       6.7
         130.0       1.6
         141.0     100.0
         142.0       7.7
         158.0      78.1
         159.0       6.0
    

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in CDCl3

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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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