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Back ChemicalBook Home>CAS DataBase List>99-89-8More Spectrum> 4-Isopropylphenol(99-89-8) IR2

4-Isopropylphenol(99-89-8) IR2

Product Name4-Isopropylphenol

CAS99-89-8

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


  • 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


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



CCl4 solution



KBr disc



nujol mull





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