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108-46-3

间苯二酚(108-46-3)红外图谱(IR1)

产品名称:间苯二酚

CAS:108-46-3

分子式:C6H6O2

分子量: 110.11

InChI:InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

InChIKey: GHMLBKRAJCXXBS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0285          
    resorcinol
    C6H6O2              (Mass of molecular ion:    110)
    

       Source Temperature: 160 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          26.0       1.0
          27.0       5.0
          28.0       1.0
          29.0       1.7
          37.0       1.5
          38.0       2.7
          39.0       8.1
          40.0       1.4
          41.0       2.0
          42.0       2.2
          43.0       2.2
          50.0       1.8
          51.0       2.5
          52.0       1.5
          53.0       7.2
          54.0       3.9
          55.0       7.5
          62.0       1.4
          63.0       4.0
          64.0       4.7
          65.0       1.3
          68.0       2.1
          69.0       5.4
          71.0       1.7
          81.0      11.9
          82.0      12.2
          92.0       1.0
          95.0       1.6
         109.0       1.9
         110.0     100.0
         111.0       6.9
    

90 MHz in D2O

400 MHz in DMS0-D6

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    1H NMR 89.56 MHz
    C6 H6 O2 0.043 g : 0.5 ml D2O
    resorcinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.197 B 6.53 C 6.49 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        655.19   7.316     27
        653.75   7.300     82
        651.88   7.279     56
        648.38   7.240     29
        647.69   7.232     63
        644.94   7.202    248
        638.31   7.128    114
        637.13   7.115    141
        634.81   7.089     30
        590.63   6.595    360
        588.56   6.572    367
        588.00   6.566    334
        583.13   6.512    193
        581.13   6.489   1000
        578.50   6.460     76
    

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    1H NMR 399.65 MHz
    C6 H6 O2 0.043 g : 0.5 ml DMSO-d6
    resorcinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.15 B 6.929 C 6.22 D 6.21

         Hz     ppm     Int.
    

       3657.99   9.153   1000
       2777.56   6.950    103
       2777.10   6.949     97
       2769.32   6.930    187
       2761.99   6.912     94
       2761.23   6.910    102
       2492.22   6.237     85
       2491.15   6.234     78
       2489.93   6.231    223
       2488.40   6.227    253
       2486.88   6.223    429
       2485.05   6.219    141
       2484.13   6.216     96
       2478.94   6.203    382
       2476.81   6.198    212
    

in D2O

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KBr disc

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nujol mull

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