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29558-77-8

4-羟基-4'-溴联苯(29558-77-8)核磁图(1HNMR)

分子式:C12H9BrO

分子量: 249.1

InChI:InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

InChIKey: ARUBXNBYMCVENE-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(Br)C=C2)=CC=C(O)C=C1

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    Mass

    MS-IW-1288          
    4'-bromo-4-biphenylol
    C12H9BrO            (Mass of molecular ion:    248)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       2.5
          39.0       1.5
          50.0       1.0
          51.0       1.2
          55.0       1.2
          62.0       1.1
          63.0       2.2
          69.0       1.0
          69.5       1.5
          70.0       1.7
          70.5       1.0
          75.0       1.4
          84.0       5.4
          84.5       2.3
          89.0       1.4
         113.0       1.3
         114.0       1.7
         115.0       7.6
         124.0       3.1
         125.0       3.1
         139.0       9.8
         140.0       4.7
         141.0      18.3
         142.0       2.5
         151.0       2.4
         152.0       1.9
         168.0       7.1
         169.0       4.7
         219.0       1.6
         221.0       1.5
         247.0       1.1
         248.0     100.0
         249.0      14.3
         250.0      99.0
         251.0      12.9
         252.0       1.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C12 H9 Br O 0.035 g : 0.5 ml DMSO-d6
    4'-bromo-4-biphenylol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.67 B 7.580 C 7.538 D 7.496 E 6.874

         Hz     ppm     Int.
    

       3867.03   9.677   1000
       3037.41   7.601     69
       3035.28   7.595    408
       3032.99   7.590    166
       3028.72   7.579    233
       3026.43   7.573    946
       3024.29   7.568    202
       3020.17   7.558     53
       3017.58   7.551    193
       3015.44   7.546    920
       3013.15   7.540    243
       3008.88   7.529    173
       3006.59   7.524    408
       3004.46   7.518     96
       3003.54   7.516    103
       3000.49   7.508    603
       2998.35   7.503    214
       2996.06   7.497     67
       2993.93   7.492    208
       2991.79   7.487    646
       2988.74   7.479     89
       2754.52   6.893     87
       2751.62   6.886    704
       2749.48   6.880    221
       2744.90   6.869    207
       2742.77   6.863    654
       2739.87   6.856     83
    

in DMSO-d6

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KBr disc

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nujol mull

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