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106-37-6

1,4-二溴苯(106-37-6)核磁图(13CNMR)

产品名称:1,4-二溴苯

CAS:106-37-6

分子式:C6H4Br2

分子量: 235.9

InChI:InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H

InChIKey: SWJPEBQEEAHIGZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1843          
    p-dibromobenzene
    C6H4Br2             (Mass of molecular ion:    234)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          18.0       2.9
          26.0       1.0
          36.0       1.3
          37.0       6.9
          38.0      11.7
          49.0       5.8
          50.0      39.0
          51.0       5.4
          61.0       1.7
          73.0       6.8
          74.0      26.4
          75.0      44.7
          76.0      29.9
          77.0       5.3
          78.0       4.9
          79.0       1.2
          81.0       1.2
         117.0       3.8
         118.0       6.5
         119.0       3.5
         128.0       1.0
         129.0       1.5
         130.0       1.1
         131.0       1.3
         155.0      42.8
         156.0       3.7
         157.0      41.5
         158.0       2.6
         234.0      51.4
         235.0       3.7
         236.0     100.0
         237.0       6.8
         238.0      49.6
         239.0       3.3
    

parameter in cyclohexane

parameter neat

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    1H NMR 300 MHz
    C6 H4 Br2 in cyclohexane
    p-dibromobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.293 MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)

         Hz     ppm     Int.
    

       2187.90   7.293   1000
    

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    1H NMR 300 MHz
    C6 H4 Br2 neat
    p-dibromobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.222 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

         Hz     ppm     Int.
    

       2166.60   7.222   1000
    

in CDCl3

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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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