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526-75-0

2,3-二甲酚(526-75-0)Raman光谱

产品名称:2,3-二甲酚

CAS:526-75-0

分子式:C8H10O

分子量: 122.16

InChI:InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3

InChIKey: QWBBPBRQALCEIZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1694          
    2,3-xylenol
    C8H10O              (Mass of molecular ion:    122)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0       6.0
          28.0       1.5
          37.0       1.0
          38.0       3.0
          39.0      15.5
          40.0       2.2
          41.0       4.8
          43.0       2.9
          50.0       5.4
          51.0      11.8
          52.0       4.7
          53.0       6.6
          55.0       2.7
          60.0       1.9
          61.0       1.7
          62.0       2.7
          63.0       6.2
          64.0       1.5
          65.0       8.4
          66.0       2.3
          67.0       1.6
          74.0       1.7
          75.0       1.4
          76.0       1.0
          77.0      31.2
          78.0      11.7
          79.0      21.2
          80.0       2.1
          81.0       1.0
          89.0       1.4
          91.0      19.4
          92.0       2.9
          93.0       5.5
          94.0       4.1
         102.0       1.2
         103.0       8.0
         104.0       5.8
         105.0       3.2
         107.0     100.0
         108.0       7.7
         120.0       1.1
         121.0      29.8
         122.0      88.8
         123.0       7.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 O 14.5 mg : 0.5 ml CDCl3
    2,3-xylenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.959 B 6.756 C 6.624 D 4.76 E *1 2.269 F *1 2.159

         Hz     ppm     Int.
    

       2789.79   6.981     73
       2782.10   6.962    160
       2774.17   6.942     98
       2703.61   6.765    129
       2696.04   6.747    107
       2651.37   6.635    129
       2650.88   6.634    128
       2643.31   6.615    115
       2642.94   6.614    115
        906.86   2.270    970
        862.92   2.160   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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