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590-36-3

2-甲基-2-戊醇(590-36-3)核磁图(1HNMR)

产品名称:2-甲基-2-戊醇

CAS:590-36-3

分子式:C6H14O

分子量: 102.17

InChI:InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

InChIKey: WFRBDWRZVBPBDO-UHFFFAOYSA-N

Smiles:CC(C)(O)CCC

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    Mass

    MS-IW-3853          
    2-methyl-2-pentanol
    C6H14O              (Mass of molecular ion:    102)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.8
          27.0       7.5
          28.0       1.3
          29.0       6.0
          31.0      17.6
          39.0       6.9
          40.0       1.0
          41.0      22.1
          42.0       2.2
          43.0      22.2
          45.0      48.5
          46.0       1.1
          53.0       1.1
          55.0       3.2
          56.0       2.7
          57.0       3.3
          58.0       3.7
          59.0     100.0
          60.0       5.4
          69.0      12.0
          71.0       1.1
          84.0       1.2
          85.0       2.8
          87.0      37.6
          88.0       2.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H14 O 0.05 ml : 0.5 ml CDCl3
    2-methyl-2-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.04 B 1.44 C 1.38 D 1.197 E 0.926

         Hz     ppm     Int.
    

        813.48   2.036    122
        587.77   1.471     55
        585.33   1.465     63
        581.18   1.455    111
        577.27   1.445     88
        573.49   1.435    143
        570.80   1.429    184
        569.21   1.425    115
        567.50   1.420     89
        566.77   1.419     76
        565.80   1.416     55
        563.48   1.410     37
        562.87   1.409     33
        560.79   1.404    107
        559.08   1.399     86
        556.15   1.392     81
        555.54   1.391     90
        552.12   1.382     92
        548.95   1.374     88
        545.29   1.365     98
        541.87   1.356     95
        537.35   1.345     46
        535.28   1.340     45
        478.52   1.198   1000
        377.32   0.945    286
        374.51   0.938     37
        370.24   0.927    449
        364.99   0.914     95
        363.04   0.909    211
        359.74   0.901     42
    

in CDCl3

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liquid film

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