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3395-91-3

3-溴丙酸甲酯(3395-91-3)红外图谱(IR1)

产品名称:3-溴丙酸甲酯

CAS:3395-91-3

分子式:C4H7BrO2

分子量: 167

InChI:InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3

InChIKey: KQEVIFKPZOGBMZ-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCBr

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    Mass

    MS-IW-9174          
    methyl 3-bromopropionate
    C4H7BrO2            (Mass of molecular ion:    166)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0      22.4
          25.0       1.1
          26.0       8.3
          27.0      51.2
          28.0      16.6
          29.0       5.3
          30.0       1.5
          31.0       4.0
          39.0       1.0
          41.0       3.3
          42.0       2.1
          43.0       2.1
          45.0       5.2
          55.0      20.6
          56.0       1.5
          59.0      40.4
          60.0       2.0
          79.0       1.9
          80.0       3.7
          81.0       1.9
          82.0       3.5
          85.0       1.0
          87.0     100.0
          88.0       4.7
          93.0       1.0
          94.0       1.6
          95.0       1.1
          96.0       1.5
         106.0       2.2
         107.0      32.0
         108.0       2.8
         109.0      30.6
         135.0      13.2
         136.0       1.2
         137.0      12.4
         166.0       8.2
         168.0       7.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H7 Br O2 0.05 ml : 0.5 ml CDCl3
    methyl 3-bromopropionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.733 B 3.594 C 2.939

         Hz     ppm     Int.
    

       1492.19   3.734   1000
       1443.24   3.612    365
       1436.40   3.595    606
       1429.57   3.578    384
       1181.52   2.957    335
       1174.68   2.940    525
       1170.90   2.930     27
       1167.85   2.923    298
    

in CDCl3

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liquid film

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