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Back ChemicalBook Home>CAS DataBase List>4835-90-9More Spectrum> 3-Hydroxypivalic acid(4835-90-9) MS

4835-90-9

3-Hydroxypivalic acid(4835-90-9) MS

Molecular FormulaC5H10O3

Molecular Weight118.13

InChIInChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)

InChIKey RDFQSFOGKVZWKF-UHFFFAOYSA-N

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

  • 3-Hydroxypivalic acid(4835-90-9) MS
    Mass

    MS-NW-8033          
    3-hydroxy-2,2-dimethylpropionic acid
    C5H10O3             (Mass of molecular ion:    118)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.5
          18.0       1.1
          26.0       1.6
          27.0      12.0
          28.0       2.3
          29.0       9.3
          31.0      18.8
          38.0       2.1
          39.0      18.7
          40.0       3.3
          41.0      26.5
          42.0      19.7
          43.0      11.5
          45.0       9.7
          47.0       1.7
          53.0       2.2
          54.0       1.1
          55.0      15.4
          56.0       5.0
          57.0       6.6
          59.0       6.4
          60.0       3.9
          69.0       3.4
          70.0      29.2
          71.0       2.8
          72.0       1.2
          73.0      85.1
          74.0       2.9
          82.0       2.6
          85.0       6.2
          87.0       8.6
          88.0     100.0
          89.0       5.0
         100.0       3.6
         101.0       1.7
    

400 MHz at 50.0C

  • 3-Hydroxypivalic acid(4835-90-9) MS

    1H NMR 399.65 MHz
    C5 H10 O3 0.029 g : 0.5 ml CDCl3 at 50C
    3-hydroxy-2,2-dimethylpropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7. B 3.598 C 1.228

         Hz     ppm     Int.
    

       1437.99   3.599    176
        490.72   1.228   1000
    

in CDCl3

  • 3-Hydroxypivalic acid(4835-90-9) MS

KBr disc

  • 3-Hydroxypivalic acid(4835-90-9) MS

nujol mull

  • 3-Hydroxypivalic acid(4835-90-9) MS

3-Hydroxypivalic acid(4835-90-9) MS Atlas of Related Products

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