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558-42-9

1-氯-2-甲基-2-丙醇(558-42-9)红外图谱(IR1)

分子式:C4H9ClO

分子量: 108.57

InChI:InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3

InChIKey: JNOZGFXJZQXOSU-UHFFFAOYSA-N

Smiles:C(Cl)C(C)(O)C

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    Mass

    MS-IW-9110          
    1-chloro-2-methyl-2-propanol
    C4H9ClO             (Mass of molecular ion:    108)
    

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

          15.0       3.8
          18.0       1.4
          26.0       1.6
          27.0      10.3
          28.0       2.7
          29.0      30.8
          31.0      27.7
          36.0       5.0
          38.0       2.6
          39.0       8.7
          40.0       1.0
          41.0      16.9
          42.0       3.1
          43.0      23.4
          49.0       3.6
          50.0       1.0
          51.0       1.9
          53.0       2.2
          54.0       1.7
          55.0      14.2
          56.0       1.9
          57.0      28.0
          58.0       1.5
          59.0     100.0
          60.0       3.5
          63.0       1.2
          65.0       1.0
          72.0       3.1
          75.0       1.5
          77.0       1.2
          90.0       2.7
          91.0       2.6
          92.0       1.4
          93.0      48.3
          94.0       1.8
          95.0      15.5
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H9 Cl O 0.05 ml : 0.5 ml CDCl3
    1-chloro-2-methyl-2-propanol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.505 D(B) 2.75 D(C) 1.317

         Hz     ppm     Int.
    

        825.00   2.750    167
        751.51   2.505    333
        395.10   1.317   1000
    

in CDCl3

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liquid film

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