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58-86-6

D-木糖(58-86-6)核磁图(1HNMR)

产品名称:D-木糖

CAS:58-86-6

分子式:C5H10O5

分子量: 150.13

InChI:InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1

InChIKey: PYMYPHUHKUWMLA-VPENINKCSA-N

Smiles:O=C[C@@H]([C@H]([C@@H](CO)O)O)O

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    Mass

    MS-IW-4308          
    D-xylose
    C5H10O5             (Mass of molecular ion:    150)
    

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

          14.0       3.2
          15.0      16.8
          17.0       4.4
          18.0      24.7
          19.0       8.7
          26.0       2.5
          27.0       6.5
          28.0      12.4
          29.0      40.2
          30.0      15.2
          31.0      79.8
          32.0      50.5
          33.0       5.8
          39.0       2.2
          40.0       1.9
          41.0       3.6
          42.0      24.6
          43.0      64.5
          44.0      17.7
          45.0      10.1
          47.0       3.7
          54.0       1.4
          55.0       7.2
          56.0       5.6
          57.0      15.7
          58.0       5.0
          59.0       1.9
          60.0      82.6
          61.0      53.2
          62.0       2.8
          68.0       2.7
          69.0       3.3
          71.0      15.5
          72.0      26.9
          73.0     100.0
          74.0       8.8
          75.0       1.1
          85.0       4.1
          86.0       6.3
          89.0       1.6
          90.0       2.8
          91.0       5.5
         101.0       3.7
         102.0       1.8
         103.0       4.3
         114.0       1.2
         119.0       3.1
         133.0       1.6
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C5 H10 O5 0.040 g : 0.5 ml D2O
    D-xylose
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.197 B 4.579 C 3.929 D 3.69 to 3.63 J 3.61 K 3.524 L 3.431 M 3.324 N 3.228 MIXTURE OF ANOMERS. THE SOLVENT PEAK REMOVED. PARTIALLY ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       2078.98   5.203    504
       2075.32   5.193    515
       1833.98   4.589    601
       1826.05   4.570    625
       1579.22   3.952    222
       1573.73   3.938    245
       1567.75   3.923    252
       1562.26   3.910    266
       1480.71   3.706    303
       1479.25   3.702    404
       1472.17   3.684   1000
       1464.84   3.666    351
       1462.28   3.659    166
       1455.69   3.643    404
       1453.00   3.636    370
       1452.27   3.634    329
       1451.66   3.633    318
       1447.63   3.623    212
       1445.80   3.618    306
       1444.21   3.614    227
       1442.50   3.610    249
       1437.01   3.596    334
       1414.43   3.540    298
       1410.64   3.530    300
       1404.91   3.516    212
       1401.25   3.507    212
       1380.74   3.455    279
       1371.46   3.432    540
       1362.30   3.409    283
       1339.23   3.352    328
       1328.49   3.325    341
       1327.64   3.323    372
       1317.02   3.296    263
       1298.46   3.249    394
       1290.53   3.230    414
       1289.06   3.226    359
       1281.13   3.206    313
    

KBr disc

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nujol mull

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