3,4-Dimethylphenol(95-65-8) IR2

Product Name3,4-Dimethylphenol

CAS 95-65-8

Molecular FormulaC8H10O

Molecular Weight122.16

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

InChIKey YCOXTKKNXUZSKD-UHFFFAOYSA-N

SmilesC1(O)=CC=C(C)C(C)=C1

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Mass

MS-NW-1687          
3,4-xylenol
C8H10O              (Mass of molecular ion:    122)

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

      27.0       6.3
      38.0       2.0
      39.0      10.4
      40.0       1.4
      41.0       3.9
      43.0       2.2
      45.0       1.0
      50.0       3.7
      51.0       8.4
      52.0       3.4
      53.0       5.4
      55.0       2.5
      59.0       1.0
      60.0       2.6
      61.0       1.7
      62.0       1.3
      63.0       3.2
      65.0       5.2
      66.0       1.4
      67.0       1.1
      77.0      20.3
      78.0       4.6
      79.0       8.1
      81.0       1.1
      91.0      11.4
      92.0       1.4
      93.0       2.8
      94.0       1.6
     103.0       2.6
     104.0       1.5
     105.0       2.0
     107.0     100.0
     108.0       7.9
     120.0       1.9
     121.0      46.4
     122.0      99.8
     123.0       8.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O	12.2 mg : 0.5 ml CDCl₃
3,4-xylenol

    Assign.     Shift(ppm)

      A             6.978
      B             6.640
      C             6.575
      D             4.7
      E     *1      2.205
      F     *1      2.176

     Hz     ppm     Int.

   2793.33   6.990    138
   2785.52   6.970    152
   2785.16   6.969    156
   2655.27   6.644    138
   2652.83   6.638    171
   2652.47   6.637    172
   2633.06   6.589    103
   2630.25   6.582     89
   2624.88   6.568     95
   2622.19   6.562     82
    881.35   2.206    949
    875.00   2.190     28
    874.27   2.188     29
    873.78   2.187     30
    873.41   2.186     30
    869.63   2.176   1000

in CDCl3