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106-34-3

醌氢醌(106-34-3)核磁图(1HNMR)

产品名称:醌氢醌

CAS:106-34-3

分子式:C12H10O4

分子量: 218.21

InChI:InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H

InChIKey: BDJXVNRFAQSMAA-UHFFFAOYSA-N

Smiles:C1(O)C=CC(O)=CC=1.C1(=O)C=CC(=O)C=C1

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    Mass

    MS-NW-1781          
    quinhydrone
    C6H6O2 C6H4O2       (Mass of molecular ion:    218)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       3.8
          25.0       3.2
          26.0      21.9
          27.0      10.4
          28.0       3.3
          29.0       3.3
          31.0       1.0
          37.0       2.4
          38.0       2.5
          39.0      10.8
          41.0       1.1
          42.0       1.4
          43.0       1.0
          49.0       1.3
          50.0       3.9
          51.0       4.0
          52.0       9.7
          53.0      13.0
          54.0      33.9
          55.0      14.6
          56.0       1.1
          61.0       1.8
          62.0       2.0
          63.0       3.2
          64.0       3.1
          65.0       1.0
          69.0       1.6
          80.0      10.2
          81.0      19.6
          82.0      18.7
         108.0      35.0
         109.0       6.8
         110.0     100.0
         111.0       7.0
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H6 O2 0.027 g : 0.5 ml DMSO-d6
    quinhydrone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.63 B 6.875 C 6.565

         Hz     ppm     Int.
    

       3448.24   8.629    365
       2747.56   6.875   1000
       2623.78   6.566    796
    

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    1H NMR 89.56 MHz
    C6 H6 O2 0.042 g : 0.5 ml DMSO-d6
    quinhydrone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.58 B 6.864 C 6.568

         Hz     ppm     Int.
    

        768.82   8.585    109
        614.79   6.865   1000
        612.52   6.840     24
        588.28   6.569    803
    

KBr disc

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nujol mull

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