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50-81-7

维生素 C(50-81-7)红外图谱(IR1)

产品名称:维生素 C

CAS:50-81-7

分子式:C6H8O6

分子量: 176.12

InChI:InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1

InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N

Smiles:OC1=C(O)C(=O)O[C@@H]1[C@H](CO)O

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    Mass

    MS-IW-3282          
    L-ascorbic acid
    C6H8O6              (Mass of molecular ion:    176)
    

       Source Temperature: 170 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          15.0       3.2
          18.0       3.3
          19.0       2.5
          26.0       1.3
          27.0       3.9
          28.0       3.0
          29.0      15.0
          30.0       4.3
          31.0      12.0
          39.0       2.1
          41.0       2.6
          42.0       7.9
          43.0      28.3
          44.0      10.0
          45.0       7.2
          47.0       1.0
          53.0       2.1
          54.0       4.0
          55.0       6.8
          56.0       2.8
          57.0       3.6
          58.0       8.4
          59.0       6.6
          60.0       3.1
          61.0      17.9
          68.0       1.0
          69.0       6.4
          70.0      11.4
          71.0      11.7
          72.0       3.7
          73.0       6.3
          74.0       1.6
          76.0       4.2
          84.0       2.2
          85.0      18.1
          86.0       1.1
          87.0       5.8
          88.0       3.6
          89.0       2.0
          91.0       5.5
          98.0       1.3
          99.0       1.0
         100.0       5.4
         101.0       8.1
         102.0       4.5
         115.0       1.6
         116.0     100.0
         117.0       4.8
         118.0       1.2
         119.0      13.8
         130.0       1.0
         145.0       1.5
         176.0       6.8
    

400 MHz in DMSO-d6

90 MHz in D2O

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    1H NMR 399.65 MHz
    C6 H8 O6 0.049 g : 0.5 ml DMSO-d6
    L-ascorbic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 11.03 B *1 8.31 C *1 4.86 D 4.721 E 3.733 F *2 3.45 G *2 3.43 J(D,E)=1.5HZ J(F,G)=10.5HZ J(E,F)=6.4HZ J(E,G)=7.9HZ

         Hz     ppm     Int.
    

       4409.64  11.034    112
       3320.62   8.309     81
       1940.92   4.857     52
       1912.54   4.786     32
       1911.93   4.785     32
       1911.16   4.783     31
       1910.71   4.781     31
       1887.51   4.723    988
       1885.99   4.720   1000
       1500.09   3.754    133
       1498.72   3.751    134
       1492.31   3.735    321
       1490.94   3.731    222
       1485.90   3.719    167
       1484.53   3.715    169
       1389.47   3.477     66
       1383.06   3.461    103
       1378.94   3.451    561
       1377.11   3.446    533
       1372.68   3.435    432
       1369.17   3.426    429
       1366.58   3.420    118
       1358.64   3.400     77
    

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    1H NMR 89.56 MHz
    C6 H8 O6 0.041 g : 0.5ml D2O
    L-ascorbic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.94 C 4.06 D 3.76 J(A,C)=1.9HZ. J(C,D)=7.3HZ. THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        443.50   4.952    814
        441.63   4.932    848
        372.81   4.163    100
        371.00   4.143     87
        367.19   4.100    145
        365.56   4.082    293
        363.69   4.061    212
        359.94   4.019    223
        358.06   3.998    226
        339.63   3.793    890
        339.19   3.788   1000
        333.50   3.724    512
        332.38   3.712    534
    

in D2O

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KBr disc

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nujol mull

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REDUCTION WITH K-TERT-BUTOXIDE IN DMSO

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