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88-69-7

2-异丙基苯酚(88-69-7)Raman光谱

产品名称:2-异丙基苯酚

CAS:88-69-7

分子式:C9H12O

分子量: 136.19

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

InChIKey: CRBJBYGJVIBWIY-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1C(C)C

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    Mass

    MS-NW-5377          
    o-isopropylphenol
    C9H12O              (Mass of molecular ion:    136)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       3.3
          28.0       1.3
          38.0       1.3
          39.0       7.7
          40.0       1.0
          41.0       3.4
          50.0       1.8
          51.0       5.2
          52.0       1.4
          53.0       1.8
          55.0       1.3
          60.5       1.6
          62.0       1.0
          63.0       2.9
          65.0       5.1
          66.0       1.4
          67.0       1.2
          75.0       1.1
          77.0      16.2
          78.0       2.3
          79.0       1.3
          89.0       1.1
          91.0      11.8
          92.0       1.7
          93.0       5.6
          94.0       1.7
          95.0       1.0
         102.0       1.7
         103.0      21.1
         104.0       2.1
         107.0       2.8
         115.0       2.1
         119.0       1.1
         120.0       1.6
         121.0     100.0
         122.0       9.0
         136.0      36.4
         137.0       3.9
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H12 O 10.9 mg : 0.5 ml CDCl3
    o-isopropylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.206 B 7.068 C 6.918 D 6.741 E 4.76 F 3.211 G 1.258

         Hz     ppm     Int.
    

       2884.89   7.219     44
       2883.30   7.215     46
       2877.32   7.200     50
       2875.61   7.196     52
       2833.62   7.091     32
       2831.91   7.086     31
       2826.17   7.072     51
       2824.58   7.068     48
       2818.36   7.053     47
       2816.65   7.048     43
       2772.58   6.938     37
       2772.22   6.937     38
       2771.36   6.935     40
       2764.89   6.919     59
       2763.67   6.916     58
       2698.24   6.752     70
       2697.14   6.749     66
       2690.31   6.732     62
       2689.21   6.729     58
       1290.53   3.230     34
       1283.69   3.213     47
       1276.86   3.195     36
        506.10   1.267    998
        503.91   1.261     42
        499.27   1.250   1000
        497.07   1.244     41
    

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    1H NMR 89.56 MHz
    C9 H12 O 0.04 ml : 0.5 ml CDCl3
    o-isopropylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.19 B 7.04 C 6.92 D 6.71 E 4.70 F 3.20 G 1.249

         Hz     ppm     Int.
    

        649.44   7.252     40
        647.75   7.233     34
        647.19   7.227     44
        642.56   7.175     62
        640.13   7.148     90
        638.81   7.133     31
        633.50   7.074     82
        631.31   7.050     62
        626.31   6.994    119
        624.94   6.978     72
        623.88   6.967     88
        622.94   6.956     96
        617.56   6.896     53
        616.06   6.879     55
        604.94   6.755     95
        603.00   6.733    103
        597.88   6.676     45
        597.13   6.668     44
        595.81   6.653     48
        420.63   4.697     63
        294.19   3.285     36
        287.31   3.209     51
        280.50   3.132     42
        115.13   1.286   1000
        112.94   1.262     60
        111.25   1.243     51
        110.38   1.233     49
        108.25   1.209    901
    

in CDCl3

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liquid film

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