2-tert-Butyl-6-methylphenol(2219-82-1) MS

Product Name2-tert-Butyl-6-methylphenol

CAS 2219-82-1

Molecular FormulaC11H16O

Molecular Weight164.24

InChIInChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3

InChIKey BKZXZGWHTRCFPX-UHFFFAOYSA-N

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

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Mass

MS-NW-1621          
2-tert-butyl-6-methylphenol
C11H16O             (Mass of molecular ion:    164)

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

      27.0       3.7
      29.0       2.2
      39.0       6.0
      41.0       8.0
      43.0       1.0
      50.0       1.1
      51.0       4.3
      52.0       1.5
      53.0       3.9
      55.0       1.4
      63.0       1.8
      65.0       3.2
      66.0       1.2
      74.5       1.5
      77.0       7.5
      78.0       2.3
      79.0       3.3
      89.0       1.1
      91.0      13.9
      92.0       1.5
      93.0       1.1
     103.0       2.2
     105.0       5.9
     107.0       3.2
     108.0       1.8
     109.0       5.0
     115.0       6.8
     116.0       7.6
     117.0       1.4
     119.0       1.1
     121.0      44.3
     122.0       4.1
     123.0       1.0
     128.0       1.8
     129.0       3.2
     131.0       2.7
     133.0       2.0
     134.0       1.1
     149.0     100.0
     150.0      11.1
     164.0      38.6
     165.0       4.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
2-tert-butyl-6-methylphenol

    Assign.     Shift(ppm)

      A             7.137
      B             6.974
      C             6.787
      D             4.72
      E             2.225
      F             1.413

     Hz     ppm     Int.

    635.19   7.093     22
    623.44   6.962     26
    622.81   6.955     27
    613.13   6.847     41
    605.63   6.763     39
    422.31   4.716     50
    199.31   2.226    198
    128.38   1.434     29
    126.56   1.414   1000

in CDCl3