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γ-Valerolactone

Product Name γ-Valerolactone

CAS108-29-2

MFC5H8O2

MW100.12

¹³CNMR

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

¹H NMR	399.65 MHz
C₅ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
gamma-valerolactone

    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

¹H NMR	89.56 MHz
C₅ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
gamma-valerolactone

    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

CCl4 solution

liquid film

4880 A,200 M,liquid

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