4-Chloro-3,5-dimethylphenol(88-04-0) IR2

Product Name4-Chloro-3,5-dimethylphenol

CAS 88-04-0

Molecular FormulaC8H9ClO

Molecular Weight156.61

InChIInChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

InChIKey OSDLLIBGSJNGJE-UHFFFAOYSA-N

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

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Mass

MS-NW-4741          
4-chloro-3,5-xylenol
C8H9ClO             (Mass of molecular ion:    156)

   Source Temperature: 210 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.6
      37.0       1.1
      38.0       1.9
      39.0       9.0
      40.0       1.1
      41.0       2.7
      43.0       1.8
      45.0       1.9
      46.0       1.2
      50.0       3.9
      51.0       9.5
      52.0       2.8
      53.0       3.7
      55.0       2.7
      59.0       2.2
      60.0       1.0
      61.0       1.1
      62.0       1.8
      63.0       4.1
      64.0       1.2
      65.0       9.6
      66.0       1.4
      67.0       1.5
      73.0       1.2
      74.0       1.4
      75.0       2.2
      77.0      17.2
      78.0       4.1
      79.0       1.3
      87.0       1.3
      89.0       1.9
      91.0      26.8
      92.0       3.9
      93.0       3.7
      94.0       1.4
     103.0       3.1
     105.0       1.4
     119.0       3.6
     120.0       3.9
     121.0     100.0
     122.0       9.4
     127.0       2.8
     129.0       1.0
     141.0       3.9
     143.0       1.2
     155.0       7.2
     156.0      89.2
     157.0      10.3
     158.0      28.2
     159.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ Cl O	0.045 g : 0.5 ml CDCl₃
4-chloro-3,5-xylenol

    Assign.     Shift(ppm)

      A             2.293
      B             5.1
      C             6.550

     Hz     ppm     Int.

    587.31   6.558    173
    586.69   6.551    219
    586.06   6.544    163
    206.00   2.301    617
    205.38   2.294   1000
    204.75   2.287    565
    202.81   2.265     36

in CDCl3