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2050-47-7

4,4'-二溴二苯醚(2050-47-7)核磁图(1HNMR)

产品名称:4,4'-二溴二苯醚

CAS:2050-47-7

分子式:C12H8Br2O

分子量: 328

InChI:InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChIKey: YAWIAFUBXXPJMQ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1846          
    bis(p-bromophenyl) ether
    C12H8Br2O           (Mass of molecular ion:    326)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.8
          37.0       1.6
          38.0       6.8
          39.0       4.6
          50.0      27.1
          51.0       5.6
          61.0       1.5
          62.0       4.6
          63.0      17.8
          64.0      11.1
          65.0       3.6
          69.0       1.5
          69.5       4.9
          70.0       2.3
          73.0       1.2
          74.0       9.0
          75.0      28.0
          76.0      29.3
          77.0       4.0
          84.0      15.7
          84.5       2.3
          89.0       1.1
          92.0       4.1
          93.0       1.6
         113.0       1.2
         114.0       1.9
         117.0       2.5
         119.0       2.5
         123.0       1.4
         123.5       2.6
         124.0       1.7
         124.5       2.5
         129.0       1.0
         131.0       1.0
         138.0       1.1
         139.0      16.2
         140.0      21.7
         141.0       3.6
         143.0       7.4
         145.0       7.2
         155.0      12.0
         156.0       1.0
         157.0      11.9
         167.0       1.1
         168.0      45.7
         169.0       6.3
         171.0       3.3
         172.0       5.4
         173.0       3.5
         174.0       5.1
         193.0       1.1
         195.0       1.0
         219.0      15.8
         220.0       2.1
         221.0      15.5
         222.0       2.0
         246.0       1.3
         248.0       3.2
         250.0       1.9
         326.0      51.4
         327.0       6.9
         328.0     100.0
         329.0      13.2
         330.0      49.1
         331.0       6.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H8 Br2 O 0.047 g : 0.5 ml CDCl3
    bis(p-bromophenyl) ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.426 B 6.869

         Hz     ppm     Int.
    

        673.63   7.522     51
        670.44   7.486    726
        669.81   7.479    236
        668.94   7.470     73
        668.19   7.461    214
        663.69   7.411    240
        661.38   7.385   1000
        660.00   7.370     68
        658.25   7.350    117
        622.31   6.949     90
        619.19   6.914    955
        616.88   6.888    236
        612.38   6.838    197
        610.13   6.813    688
        606.94   6.777     61
    

in CDCl3

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KBr disc

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nujol mull

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