2,3-dimethylphenol(526-75-0) IR3

Product Name2,3-dimethylphenol

CAS 526-75-0

Molecular FormulaC8H10O

Molecular Weight122.16

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

InChIKey QWBBPBRQALCEIZ-UHFFFAOYSA-N

SmilesC1(O)=CC=CC(C)=C1C

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2,3-dimethylphenol(526-75-0) IR3
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

2,3-dimethylphenol(526-75-0) IR3

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