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105-36-2

溴乙酸乙酯(105-36-2)红外图谱(IR1)

产品名称:溴乙酸乙酯

CAS:105-36-2

分子式:C4H7BrO2

分子量: 167

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

InChIKey: PQJJJMRNHATNKG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CBr

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    Mass

    MS-IW-3417          
    ethyl bromoacetate
    C4H7BrO2            (Mass of molecular ion:    166)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          14.0       6.1
          15.0       6.3
          26.0       7.1
          27.0      49.8
          28.0      57.8
          29.0     100.0
          30.0       5.6
          31.0       4.6
          41.0       9.5
          42.0      40.1
          43.0      57.2
          44.0       2.5
          45.0      21.5
          59.0       1.8
          60.0      11.6
          73.0      10.3
          77.0       2.4
          79.0       3.6
          80.0       2.4
          81.0       3.4
          82.0       2.3
          87.0      18.4
          91.0       2.0
          92.0       3.8
          93.0      40.6
          94.0      19.3
          95.0      38.0
          96.0      15.3
         107.0      10.6
         109.0      10.4
         120.0       4.9
         121.0      98.7
         122.0       7.0
         123.0      96.0
         124.0       2.3
         138.0      46.2
         139.0      11.9
         140.0      45.5
         141.0      11.8
         151.0       2.7
         153.0       2.5
         166.0      29.9
         167.0       2.0
         168.0      29.2
         169.0       1.6
    

parameter neat

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H7 Br O2 neat
    ethyl bromoacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.267 D(B) 4.186 J(A,B) 7.11 D(C) 3.870 RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)

         Hz     ppm     Int.
    

       1266.52   4.222    122
       1259.42   4.198    369
       1252.30   4.174    375
       1245.20   4.151    128
       1161.01   3.870   1000
        387.19   1.291    377
        380.10   1.267    748
        373.00   1.243    367
    

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    1H NMR 300 MHz
    C4 H7 Br O2 10.5 mol% in CDCl3
    ethyl bromoacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.305 D(B) 4.237 J(A,B) 7.13 D(C) 3.837

         Hz     ppm     Int.
    

       1281.86   4.273    122
       1274.71   4.249    367
       1267.59   4.225    375
       1260.47   4.202    128
       1151.10   3.837   1000
        398.60   1.329    379
        391.51   1.305    748
        384.36   1.281    367
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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