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619-42-1

对溴苯甲酸甲酯(619-42-1)红外图谱(IR2)

产品名称:对溴苯甲酸甲酯

CAS:619-42-1

分子式:C8H7BrO2

分子量: 215.04

InChI:InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChIKey: CZNGTXVOZOWWKM-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC=C(Br)C=C1

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    Mass

    MS-NW-1561          
    methyl p-bromobenzoate
    C8H7BrO2            (Mass of molecular ion:    214)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       6.0
          18.0       1.7
          28.0       1.4
          29.0       2.7
          37.0       4.1
          38.0       9.1
          39.0       2.2
          49.0       3.5
          50.0      45.4
          51.0       7.2
          52.0       1.7
          53.0       1.7
          59.0       2.2
          61.0       1.3
          62.0       1.5
          63.0       2.7
          64.0       1.2
          67.0       1.4
          73.0       5.0
          74.0      23.5
          75.0      43.8
          76.0      43.5
          77.0       5.3
          91.0       1.4
          92.0       1.1
         103.0       1.5
         104.0       6.3
         119.0       1.1
         120.0       1.0
         129.0       1.2
         131.0       1.1
         135.0       5.2
         155.0      38.2
         156.0       3.2
         157.0      37.1
         158.0       2.6
         183.0     100.0
         184.0       8.0
         185.0      97.0
         186.0       8.0
         213.0       1.7
         214.0      35.3
         215.0       4.8
         216.0      34.4
         217.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 Br O2 0.044 g : 0.5 ml CDCl3
    methyl p-bromobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.887 B 7.578 C 3.909

         Hz     ppm     Int.
    

        711.69   7.947    129
        709.69   7.925     49
        705.06   7.873     69
        702.88   7.849    214
        700.88   7.826     42
        683.88   7.637     45
        681.94   7.615    219
        679.81   7.591     63
        675.13   7.539     50
        673.56   7.521     86
        673.06   7.516    126
        352.00   3.931     67
        350.13   3.910   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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