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Back ChemicalBook Home>CAS DataBase List>77-74-7More Spectrum> 3-Methyl-3-pentanol (77-74-7) IR1

77-74-7

3-Methyl-3-pentanol (77-74-7) IR1

Product Name3-Methyl-3-pentanol

CAS77-74-7

Molecular FormulaC6H14O

Molecular Weight102.17

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

InChIKey FRDAATYAJDYRNW-UHFFFAOYSA-N

SmilesCCC(C)(O)CC

  • 3-Methyl-3-pentanol (77-74-7) IR1
    Mass

    MS-NW-1022          
    3-methyl-3-pentanol
    C6H14O              (Mass of molecular ion:    102)
    

       Source Temperature: 260 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       1.7
          17.0       1.1
          18.0       6.3
          27.0      10.1
          28.0       2.2
          29.0      10.9
          31.0       6.1
          39.0       6.2
          41.0      20.3
          42.0       2.7
          43.0      17.2
          45.0      23.9
          53.0       2.6
          55.0      44.5
          56.0       5.3
          57.0       2.8
          67.0       1.2
          69.0      16.9
          70.0       1.1
          73.0     100.0
          74.0       4.4
          84.0       6.7
          85.0       2.4
          87.0      11.9
    

90 MHz in CDCl3

  • 3-Methyl-3-pentanol (77-74-7) IR1

    1H NMR 89.56 MHz
    C6 H14 O 0.04 ml : 0.5 ml CDCl3
    3-methyl-3-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.53 B 1.49 C 1.131 D 0.90

         Hz     ppm     Int.
    

        145.31   1.623     58
        143.69   1.605     63
        137.38   1.534    885
        130.56   1.458    129
        129.06   1.442    341
        122.81   1.372    125
        121.63   1.359    125
        101.25   1.131   1000
         87.63   0.979    241
         86.81   0.970    420
         86.00   0.961    272
         79.88   0.892    915
         79.13   0.884    401
         73.00   0.816    150
         72.06   0.805    228
         70.69   0.790    131
    

in CDCl3

  • 3-Methyl-3-pentanol (77-74-7) IR1

CCl4 solution

  • 3-Methyl-3-pentanol (77-74-7) IR1

liquid film

  • 3-Methyl-3-pentanol (77-74-7) IR1

4880 A,200 M,liquid

  • 3-Methyl-3-pentanol (77-74-7) IR1

3-Methyl-3-pentanol (77-74-7) IR1 Atlas of Related Products

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