7643-75-6

L-(-)-阿拉伯糖醇(7643-75-6)質(zhì)譜(MS)

產(chǎn)品名稱:L-(-)-阿拉伯糖醇

CAS:7643-75-6

分子式:C5H12O5

分子量: 152.15

InChI:InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1

InChIKey: HEBKCHPVOIAQTA-IMJSIDKUSA-N

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

Mass

MS-NW-2285          
L-arabinitol
C5H12O5             (Mass of molecular ion:    152)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       1.3
      15.0      18.9
      17.0       2.4
      18.0      12.6
      19.0      18.4
      26.0       1.4
      27.0       9.7
      28.0      17.5
      29.0      17.6
      30.0       2.9
      31.0      34.5
      32.0       2.0
      39.0       2.1
      41.0       2.4
      42.0       8.6
      43.0      54.3
      44.0      51.8
      45.0      33.5
      46.0       1.9
      47.0       2.0
      55.0      12.8
      56.0      40.9
      57.0      14.9
      58.0       1.3
      59.0       1.2
      60.0      13.6
      61.0     100.0
      62.0       4.4
      71.0       3.0
      72.0       3.2
      73.0      44.1
      74.0      56.1
      75.0       2.9
      85.0       7.0
      88.0       1.0
      91.0      37.4
      92.0       1.4
     103.0      25.6
     104.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₁₂ O₅	0.039 g : 0.5 ml DMSO-d₆
L-arabinitol

    Assign.     Shift(ppm)

      A             4.47
      B             4.45
      C             4.34
      D             4.22
      E             4.15
      F             3.672
      G     *1      3.594
      J             3.46
      K     *2      3.41
      L     *2      3.39
      M     *1      3.36
      N             3.32
     
     assigned by H-H and C-H COSY

     Hz     ppm     Int.

   1790.53   4.481    637
   1784.79   4.466    873
   1778.69   4.451    611
   1773.07   4.437    343
   1742.55   4.361    281
   1736.94   4.347    533
   1731.45   4.333    287
   1689.70   4.228    524
   1683.47   4.213    547
   1661.87   4.159    654
   1654.54   4.140    682
   1476.44   3.695    145
   1471.68   3.683    368
   1470.34   3.680    381
   1465.45   3.667    396
   1464.11   3.664    390
   1459.23   3.652    172
   1457.76   3.648    158
   1446.78   3.621    195
   1443.36   3.612    267
   1441.53   3.607    258
   1437.87   3.598    261
   1436.16   3.594    279
   1432.62   3.585    322
   1430.91   3.581    307
   1427.37   3.572    247
   1395.63   3.493    111
   1389.77   3.478    236
   1386.72   3.470    287
   1384.16   3.464    314
   1381.59   3.458    361
   1378.30   3.449    293
   1376.34   3.444    266
   1372.56   3.435    304
   1365.97   3.418    871
   1361.57   3.407    715
   1355.59   3.392   1000
   1353.39   3.387    662
   1349.49   3.377    806
   1342.04   3.359    503
   1339.23   3.352    299
   1337.77   3.348    269
   1335.08   3.341    417
   1333.50   3.337    400
   1326.29   3.319    517
   1319.70   3.303    264
   1318.24   3.299    244

in DMSO-d6

in D2O