87-81-0

塔格糖(87-81-0)红外图谱(IR2)

产品名称:塔格糖

CAS:87-81-0

分子式:C6H12O6

分子量: 180.16

InChI:InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/s3

InChIKey: BJHIKXHVCXFQLS-MMHHZWLHNA-N

Smiles:[C@H](O)([C@H](O)CO)[C@H](O)C(=O)CO |&1:0,2,6,r|

Mass

MS-NW-6972          
D-tagatose
C6H12O6             (Mass of molecular ion:    180)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      14.0       2.5
      15.0      14.9
      17.0       3.6
      18.0      13.7
      19.0      12.3
      26.0       2.7
      27.0      11.6
      28.0       4.8
      29.0      32.4
      30.0       6.2
      31.0      58.9
      32.0       3.7
      33.0       1.7
      39.0       4.3
      40.0       1.7
      41.0       6.8
      42.0      16.6
      43.0      51.1
      44.0      18.1
      45.0      17.3
      47.0       2.2
      49.0       4.9
      53.0       1.0
      54.0       1.4
      55.0       8.7
      56.0       5.8
      57.0      23.6
      58.0       5.4
      59.0       3.7
      60.0      35.5
      61.0      38.1
      62.0       1.8
      68.0       3.9
      69.0       5.6
      71.0      24.1
      72.0      18.9
      73.0     100.0
      74.0       6.6
      75.0       1.8
      77.0       4.7
      83.0       1.0
      85.0      10.4
      86.0      12.3
      87.0       2.0
      89.0       4.2
      90.0      10.5
      91.0       3.2
      97.0       1.0
     101.0       1.9
     102.0       2.2
     103.0      20.2
     104.0       2.6
     113.0       2.7
     119.0       1.0
     121.0       1.8
     131.0       7.6
     132.0       1.4
     149.0       8.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₂ O₆	0.040 g : 0.5 ml DMSO-d₆
D-tagatose

    Assign.     Shift(ppm)

      A             5.35
      B     *1      4.64
      C             4.49
      D     *1      4.46
      E             4.41
      F             3.70
      G     *2      3.615
      J             3.55
      K     *2      3.402
     
     SIGNAL J OVERLAPPED BY H2O.

     Hz     ppm     Int.

   2140.38   5.356   1000
   1858.40   4.651    396
   1853.52   4.638    379
   1802.98   4.512    208
   1797.61   4.498    291
   1796.02   4.494    279
   1790.65   4.481    224
   1784.67   4.466    375
   1779.05   4.452    368
   1765.01   4.417    442
   1760.50   4.406    432
   1428.59   3.575    175
   1426.64   3.570    238
   1423.95   3.563    451
   1422.24   3.559    284
   1419.56   3.553    634
   1414.67   3.540    273
   1411.74   3.533    174
   1394.04   3.489    188
   1387.08   3.471    202
   1383.06   3.461    244
   1376.10   3.444    246
   1360.72   3.405    543
   1357.42   3.397    335
   1354.98   3.391    349
   1347.66   3.373    222
   1306.64   3.270    231
   1301.27   3.257    239
   1295.53   3.242    204
   1290.16   3.229    189

in DMSO-d6