3,5-Dimethylphenol(108-68-9) IR3

Product Name3,5-Dimethylphenol

CAS 108-68-9

Molecular FormulaC8H10O

Molecular Weight122.16

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

InChIKey TUAMRELNJMMDMT-UHFFFAOYSA-N

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

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Mass

MS-NW-1665          
3,5-xylenol
C8H10O              (Mass of molecular ion:    122)

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

      27.0       5.2
      38.0       1.9
      39.0       9.1
      40.0       1.2
      41.0       3.0
      43.0       1.9
      50.0       2.8
      51.0       6.5
      52.0       2.8
      53.0       5.1
      55.0       2.0
      60.0       2.1
      61.0       1.2
      62.0       1.1
      63.0       2.7
      65.0       4.1
      66.0       1.1
      67.0       1.2
      77.0      17.3
      78.0       4.6
      79.0      11.3
      80.0       1.0
      91.0       9.1
      92.0       1.1
      93.0       3.5
      94.0       1.5
     103.0       2.3
     104.0       1.8
     105.0       2.2
     107.0      67.8
     108.0       5.4
     121.0      30.6
     122.0     100.0
     123.0       8.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O	0.082 g : 0.5 ml CDCl₃
3,5-xylenol

    Assign.     Shift(ppm)

      A             6.560
      B             6.450
      C             5.70
      D             2.217

     Hz     ppm     Int.

    588.06   6.567     89
    587.44   6.560    101
    586.75   6.552     98
    586.06   6.544     81
    578.06   6.455    223
    577.44   6.448    222
    510.94   5.706     90
    198.88   2.221   1000
    198.31   2.215    967

in CDCl3