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576-26-1

2,6-二甲基苯酚(576-26-1)红外图谱(IR1)

产品名称:2,6-二甲基苯酚

CAS:576-26-1

分子式:C8H10O

分子量: 122.16

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

InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1844          
    2,6-xylenol
    C8H10O              (Mass of molecular ion:    122)
    

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

          15.0       1.2
          26.0       2.2
          27.0      16.4
          29.0       1.7
          37.0       1.9
          38.0       5.2
          39.0      27.3
          40.0       3.9
          41.0       9.1
          43.0       7.1
          45.0       2.1
          46.0       1.1
          50.0       8.5
          51.0      19.6
          52.0       7.9
          53.0      11.9
          54.0       1.2
          55.0       3.0
          60.0       2.8
          61.0       2.3
          62.0       4.2
          63.0      10.0
          64.0       2.2
          65.0      13.7
          66.0       3.3
          67.0       1.6
          74.0       2.0
          75.0       1.6
          76.0       1.4
          77.0      41.9
          78.0      20.1
          79.0      29.4
          80.0       2.6
          89.0       2.3
          91.0      28.1
          92.0       4.0
          93.0       7.0
          94.0       5.0
         102.0       1.7
         103.0      12.1
         104.0      10.8
         105.0       5.1
         107.0      92.3
         108.0       8.1
         121.0      33.4
         122.0     100.0
         123.0       8.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H10 O 0.05 g : 0.5 ml CDCl3
    2,6-xylenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.93 B 6.744 C 4.66 D 2.198

         Hz     ppm     Int.
    

        626.69   6.998     51
        626.25   6.993     51
        624.63   6.975     56
        618.63   6.908    164
        618.19   6.903    165
        608.56   6.795    110
        602.81   6.731     51
        599.88   6.699     42
        594.06   6.634     26
        417.00   4.657    292
        196.94   2.199   1000
    

in CDCl3

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KBr disc

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4880 A,200 M,powder

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