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39149-80-9

2-溴丙酸叔丁酯(39149-80-9)Raman光谱

产品名称:2-溴丙酸叔丁酯

CAS:39149-80-9

分子式:C7H13BrO2

分子量: 209.08

InChI:InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3

InChIKey: CVAWKJKISIPBOD-UHFFFAOYSA-N

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

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    Mass

    MS-IW-1898          
    tert-butyl 2-bromopropionate
    C7H13BrO2           (Mass of molecular ion:    208)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          26.0       1.4
          27.0       9.1
          28.0       4.4
          29.0      13.1
          39.0       4.7
          41.0      24.0
          42.0       1.4
          43.0       4.1
          55.0       3.1
          56.0       7.8
          57.0     100.0
          58.0       5.1
          59.0      13.3
         107.0      11.0
         109.0      10.8
         135.0      13.2
         137.0      12.7
         193.0       3.6
         195.0       3.6
    

parameter in CDCl3

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    1H NMR 300 MHz
    C7 H13 Br O2 0.05 ml : 0.5 ml CDCl3
    tert-butyl 2-bromopropionate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.269 D(B) 1.774 J(A,B) 6.9 D(C) 1.481

         Hz     ppm     Int.
    

       1291.10   4.304     14
       1284.21   4.281     41
       1277.32   4.258     42
       1270.42   4.235     14
        535.63   1.785    168
        528.77   1.763    165
        444.30   1.481   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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