4163-60-4

beta-D-半乳糖五乙酸酯(4163-60-4)红外图谱(IR2)

分子式:C16H22O11

分子量: 390.34

InChI:InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/s3

InChIKey: LPTITAGPBXDDGR-FTTYHUIRNA-N

Smiles:[C@@H]1(OC(=O)C)[C@@H](OC(=O)C)[C@@H](O[C@H](COC(=O)C)[C@@H]1OC(=O)C)OC(=O)C |&1:0,5,10,12,18,r|

Mass

MS-IW-0030          
beta-D-galactopyranose pentaacetate
C16H22O11           (Mass of molecular ion:    390)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       3.2
      18.0       1.3
      28.0       2.1
      42.0       1.4
      43.0     100.0
      44.0       3.9
      60.0       1.3
      61.0       1.8
      69.0       3.3
      70.0       2.1
      71.0       1.1
      73.0       8.0
      80.0       2.5
      81.0       6.2
      85.0       3.3
      86.0       2.8
      97.0       6.6
      98.0      40.7
      99.0       4.7
     102.0       2.2
     103.0      16.8
     109.0       2.7
     112.0       2.3
     113.0       2.1
     114.0       4.3
     115.0      55.0
     116.0       4.6
     126.0       5.4
     127.0       2.9
     131.0       2.1
     139.0       3.5
     140.0      21.4
     141.0       2.9
     143.0       2.2
     144.0       1.2
     145.0      11.2
     155.0       2.1
     157.0      41.1
     158.0      12.0
     159.0       1.2
     168.0       2.6
     169.0       4.3
     182.0       5.1
     186.0       1.3
     197.0       1.4
     199.0       8.4
     200.0      21.2
     201.0       2.2
     203.0       1.3
     211.0       1.5
     215.0       1.4
     228.0       1.8
     229.0       1.0
     242.0      27.9
     243.0       3.6
     245.0       3.5
     288.0       1.1
     331.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₂₂ O₁₁	0.038 g : 0.5 ml CDCl₃
beta-D-galactopyranose pentaacetate

    Assign.     Shift(ppm)

      A             5.713
      B             5.434
      C             5.339
      D             5.097
      E     *1      4.16
      F     *1      4.14
      G             4.079
      J     *2      2.172
      K     *2      2.129
      L     *2      2.053
      M     *2      2.050
      N     *2      2.000
     
     J(A,C)=8.3HZ
     J(B,D)=3.4HZ
     J(B,G)=1.0HZ
     J(C,D)=10.5HZ
     J(E,F)=-11.1HZ
     J(E,G)=6.8HZ
     J(F,G)=6.4HZ
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   2287.84   5.725    164
   2279.54   5.704    182
   2173.95   5.440     82
   2173.10   5.438     83
   2170.65   5.432     88
   2169.68   5.429     83
   2143.43   5.364     69
   2135.13   5.343     68
   2132.93   5.337     89
   2124.63   5.317     76
   2043.33   5.113     92
   2039.92   5.105     86
   2032.96   5.087     74
   2029.54   5.079     71
   1669.43   4.178     37
   1665.28   4.167     83
   1658.20   4.150    179
   1651.86   4.134    120
   1640.75   4.106     48
   1635.25   4.092     64
   1634.28   4.090     60
   1628.17   4.074     73
    868.29   2.173    905
    850.95   2.130    892
    820.43   2.053   1000
    819.21   2.050    954
    810.55   2.029     32
    808.96   2.025     31
    808.59   2.024     31
    808.23   2.023     31
    806.52   2.019     33
    802.37   2.008     59
    799.32   2.001    883

in CDCl3