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106-67-2

2-乙基4-甲基1-戊醇(106-67-2)Raman光谱

分子式:C8H18O

分子量: 130.23

InChI:InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3

InChIKey: QCHSJPKDWOFACC-UHFFFAOYSA-N

Smiles:C(O)C(CC)CC(C)C

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    Mass

    MS-NW-4284          
    2-ethyl-4-methyl-1-pentanol
    C8H18O              (Mass of molecular ion:    130)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       8.0
          28.0       4.2
          29.0      12.5
          31.0       5.8
          32.0       1.0
          39.0       5.4
          41.0      26.4
          42.0       5.1
          43.0      37.0
          44.0       1.2
          45.0       1.8
          53.0       1.5
          55.0      22.4
          56.0      30.2
          57.0     100.0
          58.0       4.6
          59.0       1.5
          68.0       1.2
          69.0      12.1
          70.0      11.8
          71.0       2.5
          82.0       1.0
          83.0      14.8
          84.0       5.7
          97.0       3.2
          98.0       4.1
          99.0       2.2
         112.0       2.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H18 O 0.04 ml : 0.5 ml CDCl3
    2-ethyl-4-methyl-1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.531 B 1.68 C 1.85 to 1.03 D 0.90 E 0.89

         Hz     ppm     Int.
    

        318.50   3.557    360
        316.00   3.529    141
        313.50   3.501    327
        150.38   1.680    831
        148.63   1.660     86
        135.13   1.509     89
        134.50   1.502     81
        134.13   1.498     86
        133.75   1.494     82
        133.13   1.487     79
        130.75   1.460     81
        130.13   1.453     85
        128.50   1.435    146
        127.25   1.421    174
        125.88   1.406    131
        125.56   1.402    120
        125.13   1.398    118
        124.69   1.393    118
        123.50   1.379    128
        122.94   1.373    124
        120.75   1.349    254
        119.56   1.335    211
        115.94   1.295    333
        114.44   1.278    359
        110.88   1.239     79
        107.88   1.205    273
        101.50   1.134    157
        100.38   1.121    153
         95.56   1.067     95
         86.56   0.967    318
         82.38   0.920   1000
         80.25   0.897    714
         78.44   0.876    205
         76.44   0.854    757
         73.81   0.825    170
         72.56   0.811    124
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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