2,6-二甲基苯酚(576-26-1)核磁圖(¹³CNMR)

產(chǎn)品名稱: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

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

¹H NMR	89.56 MHz
C₈ H₁₀ O	0.05 g : 0.5 ml CDCl₃
2,6-xylenol

    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