4-Isopropylphenol(99-89-8) MS

Product Name4-Isopropylphenol

CAS 99-89-8

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3

InChIKey YQUQWHNMBPIWGK-UHFFFAOYSA-N

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

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4-Isopropylphenol(99-89-8) MS
Mass

MS-NW-1636          
p-isopropylphenol
C9H12O              (Mass of molecular ion:    136)

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

      27.0       4.4
      38.0       1.5
      39.0      10.5
      40.0       1.4
      41.0       5.2
      50.0       1.9
      51.0       4.9
      52.0       1.3
      53.0       2.2
      55.0       2.6
      59.0       1.0
      60.5       1.4
      62.0       1.3
      63.0       3.5
      64.0       1.1
      65.0       7.8
      66.0       1.9
      77.0      18.1
      78.0       2.4
      79.0       1.5
      89.0       1.0
      91.0      14.0
      92.0       2.0
      93.0       6.3
      94.0       2.3
      95.0       1.7
     103.0      12.8
     104.0       1.2
     107.0       3.2
     119.0       1.9
     120.0       2.7
     121.0     100.0
     122.0       8.9
     135.0       1.2
     136.0      30.1
     137.0       3.1

400 MHz in CDCl3

4-Isopropylphenol(99-89-8) MS

¹H NMR	399.65 MHz
C₉ H₁₂ O	14.1 mg : 0.5 ml CDCl₃
p-isopropylphenol

    Assign.     Shift(ppm)

      A             7.095
      B             6.766
      C             4.8
      D             2.847
      E             1.215

     Hz     ppm     Int.

   2840.94   7.109    161
   2840.45   7.108    164
   2838.75   7.104     64
   2833.98   7.092     67
   2832.28   7.087    202
   2829.35   7.080     31
   2711.30   6.785     26
   2708.37   6.777    230
   2706.18   6.772     78
   2701.78   6.761     72
   2699.71   6.756    202
   2696.78   6.748     28
   1145.14   2.866     44
   1138.18   2.848     60
   1131.35   2.831     47
    493.77   1.236     21
    489.01   1.224   1000
    486.94   1.219     87
    482.18   1.207    974

in CDCl3