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10323-40-7

2-BROMO-3-METHYLBUTYRIC ACID(10323-40-7)红外图谱(IR1)

分子式:C5H9BrO2

分子量: 181.03

InChI:InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

InChIKey: UEBARDWJXBGYEJ-UHFFFAOYSA-N

Smiles:C(O)(=O)C(Br)C(C)C

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    Mass

    MS-NW-1811          
    2-bromoisovaleric acid
    C5H9BrO2            (Mass of molecular ion:    180)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       5.1
          18.0       1.3
          26.0       4.5
          27.0      42.4
          28.0       7.2
          29.0      35.1
          31.0       3.6
          37.0       2.8
          38.0       6.4
          39.0      49.0
          40.0       7.7
          41.0      88.5
          42.0       7.3
          43.0      91.1
          44.0       6.5
          45.0      11.7
          50.0       2.4
          51.0       2.7
          53.0       6.4
          54.0       2.7
          55.0      36.2
          56.0       9.0
          57.0      12.1
          58.0       1.0
          59.0      17.8
          60.0       2.6
          68.0       4.5
          69.0       4.4
          71.0       1.2
          73.0       3.9
          79.0       1.8
          80.0       4.6
          81.0       1.9
          82.0       4.5
          83.0       9.4
          84.0       1.3
          85.0       9.0
          86.0       2.4
         100.0       3.6
         101.0      25.0
         102.0       1.5
         107.0       1.0
         120.0       7.9
         121.0       1.5
         122.0       7.8
         123.0       1.0
         135.0       1.6
         137.0       1.6
         138.0     100.0
         139.0       2.4
         140.0      96.9
         141.0       2.2
         163.0       1.0
         165.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H9 Br O2 0.048 g : 0.5 ml CDCl3
    (+-)-2-bromo-3-methylbutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.22 B 4.088 C 2.26 D *1 1.130 E *1 1.091

         Hz     ppm     Int.
    

       1005.05  11.223    272
        370.17   4.134    447
        362.56   4.049    480
        212.68   2.375     61
        206.10   2.302    102
        199.44   2.227    103
        198.50   2.217     72
        192.94   2.155     62
        192.09   2.145     60
        185.51   2.072     31
        104.25   1.165   1000
        100.74   1.125    984
         97.67   1.091    867
         94.17   1.052    829
    

in CDCl3

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CCl4 solution

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KBr disc

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Liquid film

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nujol mull

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4880 A,200 M,powder

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