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95-71-6

2,5-二羟基甲苯(95-71-6)Raman光谱

产品名称:2,5-二羟基甲苯

CAS:95-71-6

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3

InChIKey: CNHDIAIOKMXOLK-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(O)C=C1C

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    Mass

    MS-NW-4789          
    2-methylhydroquinone
    C7H8O2              (Mass of molecular ion:    124)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.7
          26.0       3.0
          27.0       5.4
          28.0       1.7
          29.0       2.5
          37.0       1.8
          38.0       3.6
          39.0      12.7
          40.0       4.8
          41.0       9.0
          43.0       3.4
          50.0       2.4
          51.0       6.3
          52.0       3.0
          53.0       4.6
          54.0       4.9
          55.0      10.4
          62.0       3.2
          63.0       1.7
          65.0       4.5
          66.0       6.4
          67.0      12.8
          68.0       2.5
          69.0       3.6
          77.0      11.5
          78.0      10.6
          79.0       3.2
          81.0       5.4
          82.0       3.2
          94.0       5.4
          95.0      20.9
          96.0       3.8
         105.0       5.2
         106.0       4.9
         107.0      11.2
         122.0       3.5
         123.0      39.9
         124.0     100.0
         125.0       8.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H8 O2 0.040 g : 0.5 ml DMSO-d6
    2-methylhydroquinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.53 B *1 8.47 C 6.571 D 6.494 E 6.401 F 2.051

         Hz     ppm     Int.
    

       3408.36   8.529    584
       3388.37   8.479    487
       2631.07   6.584    203
       2622.68   6.563    259
       2597.20   6.499    162
       2594.30   6.492    182
       2563.63   6.415    122
       2560.73   6.408    103
       2555.24   6.394     97
       2552.19   6.387     86
        819.70   2.052   1000
    

in DMSO-d6

in D2O

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KBr disc

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nujol mull

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