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87-79-6

L-(-)-SORBOSE

Product Name L-(-)-SORBOSE

CAS87-79-6

MFC6H12O6

MW180.16

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  • 87-79-6_ms
    Mass

    MS-NW-1787          
    L-(-)-sorbose
    C6H12O6             (Mass of molecular ion:    180)
    

       Source Temperature: 190 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          13.0       2.2
          14.0       8.2
          15.0      48.8
          16.0       1.0
          17.0       7.8
          18.0      34.4
          19.0      15.9
          25.0       1.7
          26.0       6.7
          27.0      15.1
          28.0      12.3
          29.0      55.5
          30.0      13.8
          31.0     100.0
          32.0      11.6
          33.0       4.6
          38.0       1.0
          39.0       4.4
          40.0       1.7
          41.0       6.1
          42.0      29.7
          43.0      90.9
          44.0      27.7
          45.0      16.4
          47.0       1.7
          49.0       3.0
          53.0       1.5
          54.0       1.5
          55.0       9.2
          56.0       5.0
          57.0      16.5
          58.0       3.8
          59.0       3.7
          60.0      48.6
          61.0      60.5
          62.0       3.0
          68.0       2.3
          69.0       4.7
          70.0       1.0
          71.0      18.8
          72.0      33.1
          73.0      63.3
          74.0       5.2
          75.0       1.0
          77.0       2.6
          84.0       1.2
          85.0       9.1
          86.0       6.6
          87.0       1.5
          89.0       3.1
          90.0       9.5
          91.0       3.2
          96.0       1.3
          97.0       1.5
         101.0       1.5
         102.0       2.8
         103.0      16.9
         104.0       1.1
         113.0       2.3
         115.0       1.1
         121.0       1.2
         131.0       3.1
         149.0       4.1
    

400 MHz in D2O

400 MHz in DMSO-d6

  • 87-79-6_1hnmr_2

    1H NMR 399.65 MHz
    C6 H12 O6 0.037 g : 0.5 ml D2O
    L-(-)-sorbose
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.75 B 3.70 C *1 3.67 D *1 3.65 E 3.60 F 3.516 G 3.498 THE SOLVENT SIGNAL SUPPRESSED. ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       1497.19   3.747    281
       1492.19   3.734    363
       1487.30   3.722    449
       1484.99   3.716    713
       1479.74   3.703    274
       1476.93   3.696    177
       1473.14   3.687    972
       1471.07   3.681    773
       1461.06   3.656   1000
       1450.93   3.631    748
       1446.53   3.620    374
       1442.99   3.611    265
       1441.16   3.607    183
       1410.77   3.531    824
       1402.10   3.509    761
       1399.05   3.501    707
       1392.94   3.486    564
    

  • 87-79-6_1hnmr

    1H NMR 399.65 MHz
    C6 H12 O6 0.040 g : 0.5 ml DMSO-d6
    L-(-)-sorbose
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.27 B 4.84 C 4.67 D 4.58 E 4.39 F *1 3.43 G 3.42 to 3.39 J 3.63 K 3.25 L *1 3.22 M 3.19 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       2105.83   5.270    415
       1934.94   4.842    258
       1929.93   4.830    263
       1867.92   4.674    265
       1863.28   4.663    267
       1836.18   4.595    118
       1830.81   4.582    161
       1829.10   4.577    167
       1823.61   4.564    123
       1758.67   4.401    258
       1751.83   4.384    268
       1375.98   3.443    210
       1365.72   3.418   1000
       1356.81   3.395    346
       1352.66   3.385    262
       1345.70   3.368    238
       1343.75   3.363    172
       1338.87   3.351    106
       1334.23   3.339     95
       1297.97   3.248    185
       1294.92   3.241    147
       1294.68   3.240    147
       1292.60   3.235    211
       1287.11   3.221    273
       1281.25   3.206    255
       1271.36   3.182    100
    

in DMSO-d6

  • 87-79-6_13cnmr

KBr disc

  • 87-79-6_ir1_2

nujol mull

  • 87-79-6_ir2