3228-02-2

3-甲基-4-异丙基苯酚(3228-02-2)核磁图(¹³CNMR)

产品名称:3-甲基-4-异丙基苯酚

CAS:3228-02-2

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3

InChIKey: IJALWSVNUBBQRA-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(C(C)C)C(C)=C1

Mass

MS-NW-6150          
4-isopropyl-3-methylphenol
C10H14O             (Mass of molecular ion:    150)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.8
      39.0       5.0
      41.0       3.4
      50.0       1.0
      51.0       3.1
      52.0       1.1
      53.0       2.0
      55.0       1.6
      63.0       1.5
      65.0       2.9
      65.5       1.4
      66.0       2.8
      66.5       3.4
      67.0       1.0
      77.0       5.5
      78.0       1.4
      79.0       4.3
      91.0      12.2
      92.0       1.6
     103.0       1.0
     105.0       3.6
     107.0       5.6
     108.0       1.1
     109.0       1.1
     115.0       3.9
     116.0       1.1
     117.0       5.4
     120.0       1.9
     121.0       1.9
     133.0       2.1
     134.0       1.5
     135.0     100.0
     136.0      10.3
     150.0      33.7
     151.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄ O	16.3 mg : 0.5 ml CDCl₃
4-isopropyl-3-methylphenol

    Assign.     Shift(ppm)

      A             7.095
      B             6.656
      C             6.624
      D             4.8
      E             3.055
      F             2.280
      G             1.187

     Hz     ppm     Int.

   2840.09   7.107     84
   2831.79   7.086     93
   2666.14   6.672     31
   2665.65   6.670     40
   2665.04   6.669     31
   2663.33   6.665     45
   2662.84   6.663     56
   2657.35   6.650     33
   2655.03   6.644     47
   2654.54   6.643     58
   2648.44   6.627     99
   2645.63   6.620     66
   1227.91   3.073     40
   1220.95   3.056     54
   1214.11   3.038     42
    911.25   2.281    513
    477.91   1.196   1000
    475.71   1.191     49
    471.07   1.179    946
    468.87   1.174     49

in CDCl3