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Back ChemicalBook Home>CAS DataBase List>108-29-2More Spectrum> γ-Valerolactone(108-29-2) IR1

108-29-2

γ-Valerolactone(108-29-2) IR1

Product Nameγ-Valerolactone

CAS108-29-2

Molecular FormulaC5H8O2

Molecular Weight100.12

InChIInChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

InChIKey GAEKPEKOJKCEMS-UHFFFAOYSA-N

SmilesO1C(C)CCC1=O

  • γ-Valerolactone(108-29-2) IR1
    Mass

    MS-NW-1491          
    gamma-valerolactone
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       2.6
          15.0       7.7
          18.0       1.7
          25.0       1.1
          26.0      13.2
          27.0      37.5
          28.0      92.5
          29.0      64.2
          30.0       1.4
          31.0       1.3
          37.0       1.7
          38.0       2.7
          39.0      18.0
          40.0       4.5
          41.0      70.2
          42.0       7.5
          43.0      47.8
          44.0       4.8
          45.0       7.6
          50.0       2.7
          51.0       2.1
          53.0       2.5
          54.0       1.8
          55.0      10.3
          56.0     100.0
          57.0      15.9
          71.0       2.0
          85.0      69.9
          86.0       3.2
          99.0       4.5
         100.0       5.6
    

400 MHz in CDCl3

90 MHz in CDCl3

  • γ-Valerolactone(108-29-2) IR1

    1H NMR 399.65 MHz
    C5 H8 O2 0.05 ml : 0.5 ml CDCl3
    gamma-valerolactone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.664 B *1 2.56 C *1 2.55 D *2 2.394 E *2 1.852 F 1.414 J(A,D)=6.3 HZ. J(A,E)=7.9 HZ. J(D,E)=12.7 HZ

         Hz     ppm     Int.
    

       1873.78   4.689     87
       1872.07   4.685     37
       1867.43   4.673    130
       1865.84   4.669    100
       1861.08   4.657     95
       1859.50   4.653    134
       1854.86   4.642     31
       1853.15   4.637     89
       1029.54   2.577    203
       1028.69   2.574    194
       1022.34   2.559    408
       1020.02   2.553    224
       1019.41   2.551    216
       1012.94   2.535    366
        972.41   2.434     61
        966.06   2.418    108
        965.21   2.416     63
        959.72   2.402    110
        958.86   2.400     95
        953.37   2.386    119
        952.51   2.384     99
        946.90   2.370     67
        946.17   2.368     98
        939.70   2.352     44
        758.79   1.899     58
        750.98   1.880     65
        749.51   1.876     92
        746.22   1.868     57
        741.58   1.856     92
        739.99   1.852     67
        738.28   1.848     64
        736.82   1.844     89
        732.06   1.832     53
        728.88   1.824     84
        727.42   1.821     53
        719.36   1.800     44
        567.99   1.422   1000
        561.77   1.406    924
    

  • γ-Valerolactone(108-29-2) IR1

    1H NMR 89.56 MHz
    C5 H8 O2 0.04 ml : 0.5 ml CDCl3
    gamma-valerolactone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.64 B 2.68 to 2.43 C *1 2.39 D *1 1.84 E 1.413

         Hz     ppm     Int.
    

        426.38   4.761     53
        420.19   4.692     83
        418.69   4.675     40
        413.94   4.622     60
        412.44   4.606     55
        406.19   4.536     35
        238.13   2.659     77
        236.00   2.636     80
        231.44   2.585     86
        230.94   2.579    101
        230.06   2.569    194
        227.31   2.539     31
        226.25   2.527     60
        223.88   2.500    180
        223.06   2.491    300
        221.94   2.479    160
        221.25   2.471    181
        220.69   2.465    129
        219.06   2.446     33
        216.50   2.418     35
        214.94   2.400     70
        209.31   2.338     93
        208.13   2.324     52
        203.31   2.271     47
        202.19   2.258     50
        173.81   1.941     96
        170.81   1.908     41
        170.06   1.899     46
        166.06   1.855     55
        164.06   1.832     66
        162.31   1.813     45
        160.38   1.791     30
        155.94   1.742     42
        152.88   1.708     41
        143.94   1.608     32
        129.69   1.449   1000
        123.44   1.379    947
    

in CDCl3

  • γ-Valerolactone(108-29-2) IR1

CCl4 solution

  • γ-Valerolactone(108-29-2) IR1

liquid film

  • γ-Valerolactone(108-29-2) IR1

4880 A,200 M,liquid

  • γ-Valerolactone(108-29-2) IR1

γ-Valerolactone(108-29-2) IR1 Atlas of Related Products

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