526-75-0

2,3-二甲酚(526-75-0)核磁图(¹³CNMR)

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

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

¹H NMR	399.65 MHz
C₈ H₁₀ O	14.5 mg : 0.5 ml CDCl₃
2,3-xylenol

    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