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WebSite > CAS DataBase List  > 6968-62-3More Spectrum  >ALPHA,BETA-GLUCOOCTANOIC GAMMA-LACTONE(6968-62-3)IR2

  • Mass

    MS-IW-0782          
    D-erythro-L-talo-octono-1,4-lactone
    C8H14O8             (Mass of molecular ion:    238)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       2.6
          17.0       1.5
          18.0       9.0
          19.0       3.9
          27.0       2.0
          28.0       2.6
          29.0       5.1
          30.0       1.2
          31.0       6.4
          39.0       1.1
          41.0       2.2
          42.0       2.9
          43.0      12.9
          44.0       8.2
          45.0       6.7
          55.0       3.0
          56.0       6.7
          57.0       7.4
          58.0       1.7
          59.0       1.3
          60.0       9.6
          61.0      24.0
          62.0       1.2
          69.0       4.3
          70.0       1.2
          71.0      10.8
          72.0       2.5
          73.0     100.0
          74.0      21.2
          75.0       1.8
          76.0       6.8
          83.0       1.7
          84.0       1.0
          85.0      15.2
          86.0       3.7
          88.0       1.1
          89.0       2.3
          91.0       2.0
          96.0       1.0
          97.0       5.6
          98.0       1.4
          99.0       1.0
         100.0       2.1
         101.0       2.7
         103.0      11.0
         113.0       2.5
         114.0       1.8
         115.0       1.3
         119.0       1.1
         125.0       1.3
         131.0       7.9
         142.0       1.7
         143.0       4.1
         147.0       1.7
         159.0       6.9
         160.0       4.6
         161.0       1.6
         177.0       5.7
         189.0       1.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H14 O8 0.033 g : 0.5 ml DMSO-d6
    D-erythro-L-talo-octono-1,4-lactone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.74 B 5.34 C 4.98 D *1 4.61 E *1 4.61 F 4.42 G 4.42 J 4.42 K 4.140 L 3.745 M *2 3.575 N 3.456 P *2 3.40 Q 3.37 ASSIGNED BY H-H AND C-H COSY, AND ADDITION OF D2O. J(A,F)=7.7HZ J(B,K)=3.9HZ J(C,L)=6.0HZ J(D,Q)=5.6HZ J(E,N)=5.6HZ J(G,M)=5.6HZ J(G,P)=5.4HZ J(J,K)=5.2HZ J(J,L)=4.3HZ J(L,O)=4.3HZ J(M,N)=3.5HZ J(M,P)=-10.9HZ J(N,P)=5.6HZ J(N,Q)=7.3HZ

         Hz     ppm     Int.
    

       2298.58   5.752    864
       2290.89   5.733    910
       2134.28   5.341    838
       2130.37   5.331    834
       1991.82   4.984    660
       1985.84   4.969    676
       1846.68   4.621    773
       1844.97   4.617    845
       1840.09   4.605    991
       1839.36   4.603   1000
       1774.41   4.440    523
       1768.43   4.425    870
       1766.72   4.421    547
       1765.63   4.418    589
       1761.35   4.408    923
       1659.42   4.153    264
       1655.03   4.142    313
       1654.17   4.140    295
       1649.78   4.129    253
       1504.03   3.764    148
       1499.76   3.753    279
       1498.05   3.749    193
       1495.36   3.742    197
       1493.77   3.738    285
       1489.38   3.727    159
       1439.58   3.603    115
       1436.04   3.594    140
       1433.96   3.589    127
       1430.30   3.579    172
       1428.96   3.576    186
       1425.29   3.567    167
       1423.22   3.562    164
       1419.56   3.553    168
       1393.55   3.487     58
       1389.65   3.478     59
       1387.94   3.473    136
       1386.47   3.470    108
       1384.28   3.464    123
       1382.45   3.460    152
       1380.74   3.455    193
       1378.54   3.450    123
       1377.20   3.447    167
       1375.12   3.441    137
       1371.58   3.432    123
       1369.14   3.426     33
       1366.21   3.419    208
       1360.72   3.405    290
       1357.18   3.396    249
       1355.35   3.392    767
       1352.66   3.385    232
       1350.10   3.379    455
       1345.95   3.368    277
       1344.48   3.365    208
       1338.87   3.351    121
    

in DMSO-d6



KBr disc



nujol mull



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