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90-59-5

3,5-二溴水杨醛(90-59-5)核磁图(13CNMR)

产品名称:3,5-二溴水杨醛

CAS:90-59-5

分子式:C7H4Br2O2

分子量: 279.91

InChI:InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

InChIKey: JHZOXYGFQMROFJ-UHFFFAOYSA-N

Smiles:C(=O)C1=CC(Br)=CC(Br)=C1O

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    Mass

    MS-KW-0257          
    3,5-dibromosalicylaldehyde
    C7H4Br2O2           (Mass of molecular ion:    278)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       3.2
          28.0       2.2
          29.0       3.8
          37.0       5.0
          38.0       4.6
          39.0       2.7
          45.0       1.0
          46.0       2.9
          49.0       1.6
          50.0       3.4
          53.0       7.2
          60.0       1.8
          61.0       9.2
          62.0      17.7
          63.0      26.5
          64.0       6.7
          66.0       1.5
          71.0       1.7
          72.0       1.7
          73.0       2.0
          74.0       5.9
          75.0       1.9
          85.0       5.0
          85.5       1.0
          86.0       4.7
          90.0       2.8
          91.0       7.1
          92.0       5.2
         117.0       3.3
         118.0       1.0
         119.0       3.3
         125.0       1.7
         126.0       3.1
         127.0       1.4
         139.0       1.6
         140.0       3.4
         141.0       5.9
         142.0       2.3
         143.0       9.7
         144.0       2.2
         145.0       5.4
         153.0       3.5
         155.0       3.5
         169.0       1.2
         170.0      10.8
         171.0       2.6
         172.0      10.5
         173.0       1.6
         198.0       1.0
         199.0       1.0
         200.0       1.2
         221.0       3.5
         223.0       7.0
         225.0       3.3
         232.0       3.9
         234.0       7.4
         236.0       3.7
         250.0       2.2
         251.0       1.7
         252.0       3.5
         253.0       1.0
         254.0       1.6
         260.0       4.7
         262.0       9.2
         264.0       4.6
         277.0      20.7
         278.0      52.3
         279.0      44.1
         280.0     100.0
         281.0      27.3
         282.0      48.4
         283.0       3.8
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H4 Br2 O2 0.046 g : 0.5 ml CDCl3
    3,5-dibromosalicylaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.49 B 9.811 C 7.892 D 7.661 J(C,D)=2.3HZ. J(A,C)=0.5HZ.

         Hz     ppm     Int.
    

       1029.13  11.491    387
       1028.61  11.486    419
        878.69   9.812   1000
        708.40   7.910    168
        707.96   7.905    195
        706.05   7.884    225
        705.62   7.879    253
        687.23   7.674    489
        684.89   7.648    411
    

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    1H NMR 399.65 MHz
    C7H4Br2O2 0.039 g : 0.5 ml CDCl3
    3,5-dibromosalicylaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.50 B 9.813 C 7.893 D 7.665

         Hz     ppm     Int.
    

       4597.97  11.502    681
       3922.96   9.813   1000
       3156.54   7.896    420
       3154.16   7.890    427
       3065.32   7.668    555
       3062.94   7.662    534
    

in CDCl3

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KBr disc

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nujol mull

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