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α-Lipoic Acid

CAS1077-28-7

MFC8H14O2S2

MW206.33

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  • Mass

    MS-NW-2277          
    DL-1,2-dithiolane-3-valeric acid
    C8H14O2S2           (Mass of molecular ion:    206)
    

       Source Temperature: 170 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       1.2
          17.0       2.8
          18.0      12.8
          26.0       2.6
          27.0      23.5
          28.0       4.9
          29.0      15.9
          31.0       2.0
          32.0       5.0
          33.0       4.5
          34.0      12.6
          36.0       2.4
          38.0       1.7
          39.0      23.1
          40.0       3.4
          41.0      54.7
          42.0       4.3
          43.0      20.7
          44.0       2.4
          45.0      27.0
          46.0       6.0
          47.0       6.7
          50.0       1.6
          51.0       3.3
          52.0       1.8
          53.0      12.1
          54.0       6.1
          55.0      50.8
          56.0       3.4
          57.0      10.8
          58.0       5.0
          59.0       9.1
          60.0       8.9
          61.0       5.9
          62.0       1.2
          63.0       1.7
          64.0       6.9
          65.0       5.3
          66.0       3.1
          67.0      26.6
          68.0       6.2
          69.0       5.0
          70.0       1.0
          71.0       7.7
          72.0       2.2
          73.0       9.2
          74.0       1.9
          76.0       1.8
          77.0       4.9
          78.0       2.6
          79.0      18.4
          80.0       9.2
          81.0     100.0
          82.0       9.4
          83.0       3.5
          84.0       1.6
          85.0      11.6
          86.0       3.6
          87.0      12.7
          88.0       1.0
          89.0       1.2
          91.0       3.9
          92.0       1.1
          93.0       5.5
          94.0       2.7
          95.0      63.2
          96.0       6.7
          97.0       6.2
          98.0       1.5
          99.0      13.2
         100.0       2.8
         101.0       1.8
         103.0       1.6
         105.0      19.8
         106.0       1.5
         107.0       2.1
         109.0       1.4
         110.0       2.3
         111.0       2.2
         112.0       2.0
         113.0      15.3
         114.0       2.0
         115.0       1.2
         118.0       1.0
         119.0       2.9
         120.0       1.0
         121.0       2.8
         122.0       1.7
         123.0      62.7
         124.0       9.3
         125.0       1.2
         126.0       1.3
         127.0       8.5
         128.0       2.7
         137.0       1.0
         140.0       1.9
         141.0      11.5
         142.0       1.2
         155.0      14.3
         156.0       1.7
         160.0       2.9
         173.0      12.3
         174.0       2.1
         188.0       2.1
         206.0      63.2
         207.0       6.8
         208.0       6.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H14 O2 S2 0.043 g : 0.5 ml CDCl3
    DL-1,2-dithiolane-3-valeric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 3.577 C *1 3.184 D *1 3.125 E *2 2.470 F 2.379 G *2 1.918 J 1.75 to 1.65 K 1.55 to 1.43 J(C,D)=-11.0HZ. J(D,E)=J(D,G)=6.9HZ. J(E,G)=-12.8HZ. ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       1443.72   3.613     68
       1437.49   3.597    183
       1435.48   3.592     89
       1431.08   3.581    191
       1429.06   3.576    206
       1424.67   3.565     85
       1422.84   3.561    199
       1416.43   3.545     77
       1286.93   3.221    108
       1286.56   3.220     94
       1281.62   3.207    115
       1281.07   3.206    115
       1279.78   3.203    118
       1279.42   3.202    108
       1275.94   3.193    251
       1275.39   3.192    241
       1274.47   3.189    147
       1273.92   3.188    121
       1270.44   3.179    260
       1270.08   3.178    252
       1268.79   3.175    279
       1268.43   3.174    240
       1263.48   3.162    252
       1262.93   3.161    238
       1259.27   3.151    332
       1252.31   3.134    634
       1248.28   3.124    155
       1245.53   3.117    356
       1241.32   3.107    298
       1234.54   3.090    162
       1002.84   2.510    120
        997.52   2.496    129
        996.24   2.493    206
        990.93   2.480    220
        990.20   2.478    218
        984.70   2.464    204
        984.34   2.464    208
        983.60   2.462    248
        978.11   2.448    214
        977.01   2.445    150
        971.52   2.431    118
        958.69   2.399    537
        951.37   2.381   1000
        944.04   2.363    683
        783.04   1.960    120
        776.08   1.942    301
        770.22   1.928    151
        769.12   1.925    310
        763.25   1.910    289
        762.16   1.908    144
        756.48   1.893    281
        749.52   1.876    108
        703.18   1.760     32
        702.26   1.758     41
        695.48   1.741    129
        693.65   1.736     64
        689.99   1.727    185
        688.34   1.723    180
        686.69   1.719    240
        684.13   1.712    250
        680.46   1.703    371
        679.18   1.700    354
        677.72   1.696    215
        675.88   1.692    363
        672.95   1.684    397
        671.31   1.680    330
        669.47   1.676    233
        668.01   1.672    238
        666.91   1.669    256
        665.44   1.666    153
        663.80   1.661    262
        662.33   1.658    242
        658.67   1.649     77
        656.65   1.644    115
        654.45   1.638    128
        653.35   1.635     69
        630.64   1.578     38
        625.15   1.565     51
        621.48   1.556     30
        619.47   1.551     35
        617.64   1.546    100
        615.81   1.541     64
        611.78   1.531    112
        607.93   1.522    148
        605.91   1.517     81
        602.62   1.508    176
        600.42   1.503    194
        596.94   1.494     98
        593.46   1.485    139
        591.99   1.482    173
        587.78   1.471     85
        585.22   1.465     94
        584.67   1.463     93
        583.02   1.459     97
        578.99   1.449     52
        576.06   1.442     54
        569.65   1.426     31
    

in CDCl3



KBr disc



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