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3-HYDROXY-3-METHYL-N-VALERIC ACID

Product Name 3-HYDROXY-3-METHYL-N-VALERIC ACID

CAS150-96-9

MFC6H12O3

MW132.16

¹³CNMR

Mass

MS-NW-6656          
3-hydroxy-3-methylvaleric acid
C6H12O3             (Mass of molecular ion:    132)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       4.7
      15.0       5.2
      17.0       1.5
      18.0       6.8
      26.0       1.9
      27.0       9.6
      28.0       3.4
      29.0      16.7
      31.0       3.2
      39.0       5.7
      40.0       1.0
      41.0       8.6
      42.0      13.0
      43.0     100.0
      44.0       3.4
      45.0       4.7
      53.0       2.4
      55.0      14.4
      57.0      25.8
      58.0       1.8
      60.0       3.5
      61.0       4.4
      67.0       1.3
      68.0       1.9
      69.0       4.0
      70.0       2.6
      71.0       2.6
      72.0       8.9
      73.0      25.6
      74.0       1.3
      85.0      31.5
      86.0       1.6
      96.0       1.1
      97.0       1.0
      99.0       7.0
     103.0      17.1
     104.0       1.0
     114.0       2.3
     117.0       4.0
     139.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
3-hydroxy-3-methylvaleric acid

    Assign.     Shift(ppm)

      A             6.97
      B             2.54
      C             1.604
      D             1.276
      E             0.95

     Hz     ppm     Int.

    624.44   6.973     56
    227.00   2.535    437
    156.69   1.750     50
    155.25   1.734     53
    151.63   1.694     41
    148.19   1.655    164
    145.56   1.626     48
    145.19   1.622     48
    140.56   1.570    213
    138.13   1.543     42
    137.38   1.534     38
    137.00   1.530     38
    133.75   1.494     94
    123.38   1.378     38
    122.75   1.371     42
    122.31   1.366     38
    121.00   1.352     38
    114.38   1.278   1000
    111.00   1.240     60
    110.56   1.235     55
     94.50   1.056     43
     91.25   1.019    249
     88.75   0.991     54
     88.44   0.988     50
     84.19   0.941    449
     78.75   0.880     44
     76.56   0.855    135

in CDCl3

liquid film

4880 A,200 M,liquid

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