2,2-Bis(hydroxymethyl)butyric acid(10097-02-6) ¹³C NMR

Product Name2,2-Bis(hydroxymethyl)butyric acid

CAS 10097-02-6

Molecular FormulaC6H12O4

Molecular Weight148.16

InChIInChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)

InChIKey JVYDLYGCSIHCMR-UHFFFAOYSA-N

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

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2,2-Bis(hydroxymethyl)butyric acid(10097-02-6) <sup>13</sup>C NMR
Mass

MS-KW-0828          
2,2-bis(hydroxymethyl)butyric acid 
C6H12O4             (Mass of molecular ion:    148)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.1
      18.0       2.3
      19.0       1.7
      26.0       1.0
      27.0      11.9
      28.0       6.1
      29.0      17.6
      31.0      13.7
      39.0       9.3
      40.0       1.7
      41.0      16.9
      42.0       2.2
      43.0      11.9
      44.0       2.5
      45.0       7.9
      47.0       1.4
      53.0       5.9
      54.0      10.7
      55.0      48.3
      56.0      11.7
      57.0      15.8
      58.0       3.4
      60.0       1.0
      67.0       1.6
      68.0       1.2
      69.0       3.7
      70.0       1.1
      71.0       4.4
      72.0       4.9
      73.0       3.4
      81.0       1.4
      82.0      34.6
      83.0      15.1
      84.0       3.8
      85.0      34.1
      86.0       3.1
      97.0       1.2
      99.0       9.6
     100.0     100.0
     101.0      12.8
     102.0       3.1
     112.0       9.2
     117.0       2.1
     118.0      19.5
     119.0       1.1
     131.0       1.0

in DMSO-d6