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Ascorbic Acid

Product Name Ascorbic Acid

CAS50-81-7

MFC6H8O6

MW176.12

¹³CNMR

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

¹H NMR	399.65 MHz
C₆ H₈ O₆	0.049 g : 0.5 ml DMSO-d₆
L-ascorbic acid

    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

¹H NMR	89.56 MHz
C₆ H₈ O₆	0.041 g : 0.5ml D₂O
L-ascorbic acid

    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

KBr disc

nujol mull

REDUCTION WITH K-TERT-BUTOXIDE IN DMSO

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