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返回ChemicalBook首页>CAS数据库列表>99210-90-9更多图谱> (R)-(-)-2-甲基-2,4-戊二醇(99210-90-9)Raman光谱

99210-90-9

(R)-(-)-2-甲基-2,4-戊二醇(99210-90-9)Raman光谱

分子式:C6H14O2

分子量: 118.17

InChI:InChI=1/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/s3

InChIKey: SVTBMSDMJJWYQN-GQMHJJTINA-N

Smiles:C(O)(C)(C)C[C@H](O)C |&1:5,r|

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    Mass

    MS-NW-5420          
    (R)-(-)-2-methyl-2,4-pentanediol
    C6H14O2             (Mass of molecular ion:    118)
    

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

          15.0       6.0
          17.0       1.3
          18.0       5.6
          19.0       1.5
          26.0       1.3
          27.0       7.7
          28.0       2.8
          29.0       6.6
          31.0      11.7
          38.0       1.4
          39.0      10.8
          40.0       3.1
          41.0      31.5
          42.0      13.9
          43.0      72.2
          44.0       6.4
          45.0      25.4
          51.0       1.2
          53.0       1.7
          54.0       1.2
          55.0       5.6
          56.0      35.5
          57.0      13.7
          58.0       4.2
          59.0     100.0
          60.0       3.7
          61.0       9.7
          67.0       5.3
          82.0       2.2
          83.0       1.0
          85.0      11.2
         103.0       4.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H14 O2 0.04 ml : 0.5 ml CDCl3
    (R)-(-)-2-methyl-2,4-pentanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.192 B 3.78 C *1 1.64 D *1 1.47 E *2 1.303 F *2 1.250 G 1.188

         Hz     ppm     Int.
    

        385.50   4.305     37
        382.06   4.266     49
        379.31   4.236     46
        376.06   4.199     74
        372.88   4.164     47
        369.94   4.131     52
        366.56   4.093     43
        338.38   3.779    871
        147.69   1.650    102
        138.50   1.547    291
        135.13   1.509    204
        124.00   1.385     61
        116.75   1.304    854
        112.00   1.251   1000
        109.25   1.220    860
        107.25   1.198     72
        105.38   1.177     30
        103.06   1.151    824
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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