1,6-脫水-BETHA-D-葡萄糖(498-07-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,6-脫水-BETHA-D-葡萄糖

CAS:498-07-7

分子式:C6H10O5

分子量: 162.14

InChI:InChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/s3

InChIKey: TWNIBLMWSKIRAT-XSJRRZLONA-N

Smiles:O[C@H]1[C@@H]([C@@H](O)[C@@H]2OC[C@H]1O2)O |&1:1,2,3,5,8,r|

Mass

MS-IW-9163          
1,6-anhydro-beta-D-glucose
C6H10O5             (Mass of molecular ion:    162)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       5.0
      17.0       1.2
      18.0       6.8
      19.0       6.7
      26.0       1.2
      27.0       7.2
      28.0      10.4
      29.0      20.1
      30.0       2.2
      31.0      12.8
      39.0       3.6
      41.0       6.1
      42.0      11.7
      43.0      14.3
      44.0      10.6
      45.0       8.3
      47.0       8.8
      53.0       1.6
      55.0      10.3
      56.0      17.6
      57.0      46.1
      58.0       2.5
      59.0       1.3
      60.0     100.0
      61.0       6.4
      69.0       9.1
      70.0      14.8
      71.0       8.1
      72.0       8.8
      73.0      36.3
      74.0       7.7
      81.0       1.1
      85.0       1.6
      87.0       1.2
      89.0       3.1
      97.0       4.0
      98.0      10.1
      99.0       2.2
     101.0       1.7
     102.0       2.5
     115.0       1.2
     144.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₀ O₅	0.040 g : 0.5 ml DMSO-d₆
1,6-anhydro-beta-D-glucose

    Assign.     Shift(ppm)

      A             5.160
      B             4.98
      C             4.87
      D             4.80
      E             4.364
      F     *1      3.869
      G     *1      3.502
      J             3.369
      K             3.296
      L             3.163
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   2062.50   5.161    761
   1992.07   4.985   1000
   1988.04   4.975    977
   1948.73   4.877    969
   1941.89   4.859    993
   1922.61   4.811    965
   1915.53   4.794    995
   1740.72   4.356    293
   1739.38   4.353    316
   1734.74   4.341    310
   1733.52   4.338    303
   1550.54   3.880    424
   1549.44   3.877    435
   1543.58   3.863    452
   1542.48   3.860    467
   1406.01   3.519    365
   1400.02   3.504    427
   1399.17   3.501    429
   1393.19   3.487    330
   1349.73   3.378    202
   1348.39   3.374    304
   1347.17   3.371    305
   1345.70   3.368    318
   1344.36   3.364    323
   1343.14   3.361    220
   1341.55   3.357    164
   1320.92   3.306    207
   1319.46   3.302    237
   1317.99   3.298    190
   1314.09   3.289    205
   1312.74   3.285    227
   1311.28   3.282    177
   1269.17   3.176    230
   1267.82   3.173    234
   1266.48   3.169    226
   1262.08   3.158    228
   1260.74   3.155    225
   1259.40   3.152    212

in DMSO-d6