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返回ChemicalBook首页>CAS数据库列表>3228-02-2更多图谱> 3-甲基-4-异丙基苯酚(3228-02-2)核磁图(13CNMR)

3228-02-2

3-甲基-4-异丙基苯酚(3228-02-2)核磁图(13CNMR)

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

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    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

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

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KBr disc

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nujol mull

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