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72707-66-5

2-(溴甲基)丙烯酸(72707-66-5)红外图谱(IR1)

分子式:C4H5BrO2

分子量: 164.99

InChI:InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)

InChIKey: NOOYFQLPKUQDNE-UHFFFAOYSA-N

Smiles:C(O)(=O)C(CBr)=C

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    Mass

    MS-NW-7115          
    2-(bromomethyl)acrylic acid
    C4H5BrO2            (Mass of molecular ion:    164)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.4
          26.0       1.8
          27.0       2.7
          28.0       2.2
          29.0      11.1
          31.0       3.2
          37.0       4.3
          38.0       8.0
          39.0      50.0
          40.0      16.9
          41.0      10.3
          44.0       2.1
          45.0      12.6
          53.0       1.0
          55.0       1.4
          57.0       9.5
          67.0       1.7
          68.0       1.2
          79.0       1.3
          80.0       1.7
          81.0       1.5
          82.0       1.6
          85.0     100.0
          86.0       5.1
          93.0       1.1
          95.0       1.0
         119.0       2.4
         121.0       2.4
         147.0       1.0
         164.0      18.3
         166.0      18.4
         167.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H5 Br O2 0.049 g : 0.5 ml CDCl3
    2-(bromomethyl)acrylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.1 B 6.505 C 6.108 D 4.179

         Hz     ppm     Int.
    

       1082.56  12.088    256
        585.58   6.539     73
        582.68   6.507    584
        579.94   6.476     27
        547.13   6.110    407
        544.14   6.076     26
        374.69   4.184   1000
        370.51   4.138     32
    

in CDCl3

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KBr disc

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nujol mull

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