58-86-6

D-木糖(58-86-6)Raman光谱

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

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

¹H NMR	399.65 MHz
C₅ H₁₀ O₅	0.040 g : 0.5 ml D₂O
D-xylose

    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