2,3-dihydroxy-2-methyl-propanoic acid(21620-60-0) Raman

Product Name2,3-dihydroxy-2-methyl-propanoic acid

CAS 21620-60-0

Molecular FormulaC4H8O4

Molecular Weight120.1

InChIInChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)

InChIKey DGADNPLBVRLJGD-UHFFFAOYSA-N

SmilesC(O)(=O)C(O)(C)CO

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Mass

MS-NW-8177          
2,3-dihydroxy-2-methylpropionic acid
C4H8O4              (Mass of molecular ion:    120)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      14.0       1.0
      15.0       5.8
      18.0       3.4
      19.0      14.4
      26.0       1.9
      27.0      11.1
      28.0       6.4
      29.0      37.0
      30.0       1.7
      31.0      22.4
      32.0       1.1
      39.0       1.9
      41.0       1.1
      42.0       5.0
      43.0      74.2
      44.0      34.0
      45.0       8.1
      47.0       6.6
      49.0       1.6
      55.0       4.5
      56.0       2.0
      57.0      48.4
      58.0       6.1
      59.0       2.3
      61.0       2.2
      71.0       2.1
      72.0      25.5
      73.0       2.0
      75.0      63.8
      76.0       2.3
      77.0       2.2
      85.0       1.4
      89.0       5.4
      90.0     100.0
      91.0       3.6
     102.0       1.2

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₈ O₄	0.043 g : 0.5 ml D₂O
2,3-dihydroxy-2-methylpropionic acid

    Assign.     Shift(ppm)

      B     *1      3.798
      C     *1      3.599
      D             1.363
     
     J(B,C)=-11.7HZ
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    348.75   3.895     98
    337.06   3.764    266
    325.56   3.636    276
    313.81   3.504    102
    122.13   1.364   1000

in D2O

KBr disc

nujol mull

4880 A,200 M,powder

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