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1592-31-0

1,4-二(二溴甲基)苯(1592-31-0)红外图谱(IR2)

分子式:C8H6Br4

分子量: 421.75

InChI:InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H

InChIKey: VIQBABDKNOOCQD-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1430          
    alpha,alpha,alpha',alpha'-tetrabromo-p-xylene
    C8H6Br4             (Mass of molecular ion:    418)
    

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

          17.0       1.3
          18.0       5.8
          26.0       1.3
          27.0       1.4
          28.0       1.8
          36.0       1.2
          37.0       2.6
          38.0       5.3
          39.0       5.1
          44.0       2.4
          49.0       3.3
          49.5       1.5
          50.0      29.0
          50.5       2.2
          51.0      38.5
          51.5       1.7
          52.0       6.9
          61.0       2.9
          62.0       5.4
          63.0      10.0
          73.0       1.7
          74.0      12.7
          75.0      21.2
          76.0      18.3
          77.0       2.9
          79.0       3.3
          80.0       5.5
          81.0       3.4
          82.0       5.3
          83.0       2.1
          85.0       1.4
          87.0       1.8
          89.0       1.4
          90.0       9.9
          90.5       2.3
          91.0       9.5
          91.5       1.9
          98.0       2.1
          99.0       1.3
         100.0       1.2
         101.0      17.4
         102.0      83.8
         103.0       7.4
         117.0       1.0
         130.0      11.0
         130.5       1.1
         131.0      20.5
         131.5       1.9
         132.0      10.1
         169.0       1.0
         170.0       1.3
         171.0       1.5
         180.0       3.0
         181.0       2.2
         182.0       3.4
         183.0       2.3
         197.0       2.6
         199.0       2.6
         216.0       1.7
         218.0       2.1
         260.0      51.9
         261.0       5.2
         262.0     100.0
         263.0       9.5
         264.0      48.3
         265.0       4.5
         297.0       1.5
         299.0       1.1
         339.0      19.7
         340.0       2.2
         341.0      57.9
         342.0       5.6
         343.0      55.7
         344.0       5.4
         345.0      18.6
         346.0       1.8
    

parameter in CDCl3

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    1H NMR 300 MHz
    C8 H6 Br4 saturated in CDCl3
    alpha,alpha,alpha',alpha'-tetrabromo-p-xylene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.570 D(B) 6.628

         Hz     ppm     Int.
    

       2271.00   7.570   1000
       1988.40   6.628    500
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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