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19819-98-8

邻甲基苯乙醇(19819-98-8)核磁图(13CNMR)

产品名称:邻甲基苯乙醇

CAS:19819-98-8

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3

InChIKey: RUGISKODRCWQNE-UHFFFAOYSA-N

Smiles:C1(CCO)=CC=CC=C1C

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    Mass

    MS-NW-5466          
    o-methylphenethyl alcohol
    C9H12O              (Mass of molecular ion:    136)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       4.3
          31.0       2.6
          39.0       6.3
          41.0       1.3
          50.0       2.2
          51.0       5.6
          52.0       1.7
          53.0       2.3
          62.0       1.1
          63.0       3.2
          65.0       4.8
          77.0      13.9
          78.0       4.4
          79.0      13.9
          89.0       1.6
          91.0      21.1
          92.0       3.4
         102.0       1.1
         103.0       8.4
         104.0       3.8
         105.0     100.0
         106.0      32.1
         107.0       2.9
         115.0       2.6
         117.0      10.2
         118.0      10.5
         119.0       3.0
         136.0      35.0
         137.0       3.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H12 O 0.04 ml : 0.5 ml CDCl3
    o-methylphenethyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.16 to 7.11 B 3.809 C 2.887 D 2.327 E 1.59

         Hz     ppm     Int.
    

        641.75   7.166     33
        639.75   7.144   1000
        349.06   3.898     79
        348.56   3.892     81
        341.75   3.816    219
        335.31   3.744    117
        335.00   3.741    118
        264.56   2.954    119
        258.00   2.881    192
        250.81   2.801     80
        208.44   2.328    949
        142.00   1.586    487
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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