617-04-9

甲基-D-丙噻(617-04-9)紅外圖譜(IR2)

產(chǎn)品名稱:甲基-D-丙噻

CAS:617-04-9

分子式:C7H14O6

分子量: 194.18

InChI:InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/s3

InChIKey: HOVAGTYPODGVJG-NADHCKOZNA-N

Smiles:[C@@H]1(CO)[C@@H](O)[C@@H]([C@H](O)[C@@H](OC)O1)O |&1:0,3,5,6,8,r|

Mass

MS-NW-2268          
methyl alpha-D-mannopyranoside
C7H14O6             (Mass of molecular ion:    194)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0      11.3
      17.0       2.0
      18.0      10.3
      19.0       7.5
      26.0       1.3
      27.0       7.3
      28.0       6.4
      29.0      16.2
      30.0       2.9
      31.0      22.5
      32.0       3.0
      33.0       7.6
      39.0       3.0
      41.0       5.9
      42.0       7.4
      43.0      16.5
      44.0       6.5
      45.0      18.3
      47.0       1.5
      53.0       1.0
      54.0       1.4
      55.0       8.1
      56.0      12.3
      57.0      41.8
      58.0       2.4
      59.0       9.8
      60.0     100.0
      61.0      40.5
      62.0       1.4
      69.0       8.1
      70.0       6.6
      71.0      24.5
      72.0       3.5
      73.0      48.9
      74.0      79.3
      75.0      15.9
      85.0       9.0
      86.0       2.7
      87.0       9.2
      89.0       1.3
      91.0       1.5
      97.0       5.6
      98.0       6.9
      99.0       2.1
     101.0       1.4
     103.0       3.7
     104.0       2.7
     116.0       5.4
     121.0       1.7
     127.0       2.3
     131.0       4.7
     133.0       1.0
     144.0       3.5
     145.0       6.4
     163.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₄ O₆	0.040 g : 0.5 ml DMSO-d₆
methyl alpha-D-mannopyranoside

    Assign.     Shift(ppm)

      A     *1      4.70
      B     *1      4.70
      C     *1      4.55
      D             4.490
      E             4.45
      F             3.658
      G             3.587
      J             3.44
      K             3.41
      L             3.34
      M             3.243
      N             3.24
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1881.47   4.708    243
   1880.98   4.707    257
   1877.08   4.697    215
   1875.49   4.693    221
   1821.41   4.558    176
   1815.43   4.543    176
   1795.41   4.493    139
   1793.95   4.489    149
   1786.25   4.470     72
   1780.27   4.455    176
   1774.17   4.440     76
   1472.66   3.685     30
   1470.46   3.680     32
   1466.67   3.670     30
   1464.48   3.665     34
   1460.94   3.656     41
   1458.86   3.651     40
   1454.96   3.641     39
   1452.88   3.636     39
   1438.48   3.600     46
   1436.89   3.596     48
   1435.18   3.592     58
   1433.72   3.588     76
   1432.50   3.585     59
   1430.79   3.581     52
   1429.08   3.576     50
   1387.08   3.471     35
   1380.86   3.456     71
   1376.95   3.446     39
   1374.63   3.440     64
   1370.97   3.431     37
   1369.14   3.426     72
   1367.92   3.423     82
   1364.50   3.415     58
   1362.18   3.409     68
   1358.64   3.400     51
   1351.44   3.382     57
   1346.19   3.369     46
   1342.16   3.359     68
   1336.67   3.345     74
   1332.89   3.336     35
   1327.39   3.322     36
   1309.08   3.276     35
   1307.01   3.271     44
   1305.05   3.266     47
   1300.66   3.255     54
   1296.26   3.244   1000
   1291.38   3.232     38
   1289.31   3.227     30
   1283.45   3.212     38

in D2O

in DMSO-d6