13035-61-5

四乙酰核糖(13035-61-5)紅外圖譜(IR1)

分子式:C13H18O9

分子量: 318.28

InChI:InChI=1/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/s3

InChIKey: IHNHAHWGVLXCCI-RQTLMEPVNA-N

Smiles:[C@@H]1(OC(=O)C)[C@@H](COC(=O)C)O[C@@H](OC(=O)C)[C@@H]1OC(=O)C |&1:0,5,12,17,r|

Mass

MS-NW-6872          
1,2,3,5-tetra-O-acetyl-beta-D-ribofuranose
C13H18O9            (Mass of molecular ion:    318)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.8
      42.0       1.1
      43.0     100.0
      44.0       2.3
      68.0       2.7
      69.0       4.0
      73.0       2.3
      85.0       2.1
      86.0       4.9
      97.0       5.6
     101.0       2.2
     103.0       6.7
     114.0       6.0
     115.0       5.4
     127.0       1.0
     128.0       2.7
     139.0       6.1
     143.0      13.6
     144.0       1.0
     145.0       6.0
     156.0      17.6
     157.0       3.7
     187.0       1.0
     198.0       3.0
     203.0       3.0
     245.0       5.9
     259.0       4.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₉	0.040 g : 0.5 ml CDCl₃
1,2,3,5-tetra-O-acetyl-beta-D-ribofuranose

    Assign.     Shift(ppm)

      A             6.165
      B             5.354
      C             5.346
      D             4.378
      E     *1      4.33
      F     *1      4.154
      G     *2      2.135
      J     *2      2.105
      K     *2      2.098
      L     *2      2.081

     Hz     ppm     Int.

   2463.99   6.166    207
   2147.09   5.373     38
   2142.21   5.361    110
   2136.60   5.347    333
   2133.06   5.338     30
   2132.08   5.335     32
   1755.13   4.392     31
   1753.42   4.388     43
   1752.44   4.385     30
   1749.63   4.378     54
   1748.78   4.376     46
   1744.38   4.365     33
   1743.53   4.363     39
   1741.46   4.358     83
   1729.61   4.328     81
   1725.95   4.319     63
   1667.85   4.174     74
   1662.60   4.161     69
   1656.01   4.144     57
   1650.76   4.131     46
    853.27   2.136    966
    841.55   2.106   1000
    838.62   2.099    926
    834.84   2.089     52
    831.79   2.082    943

in CDCl3