ETHYL 3-HYDROXYBUTYRATE(35608-64-1) IR1

Product NameETHYL 3-HYDROXYBUTYRATE

CAS 35608-64-1

Molecular FormulaC6H12O3

Molecular Weight132.16

InChIInChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3

InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N

SmilesC(C(O)C)C(=O)OCC

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Mass

MS-NW-1234          
ethyl DL-3-hydroxybutyrate
C6H12O3             (Mass of molecular ion:    132)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       3.2
      15.0      10.4
      18.0       2.3
      19.0       5.7
      26.0       2.4
      27.0      18.4
      28.0       9.7
      29.0      34.1
      31.0      10.4
      32.0       1.2
      39.0       4.4
      41.0       6.5
      42.0      25.5
      43.0     100.0
      44.0       6.7
      45.0      94.0
      46.0       2.5
      47.0       3.7
      55.0       1.5
      58.0       4.8
      59.0       1.1
      60.0      44.1
      61.0      20.1
      69.0       3.3
      70.0      10.8
      71.0      37.2
      72.0       1.3
      73.0       2.2
      74.0       1.2
      75.0       6.1
      85.0       9.1
      86.0       2.0
      87.0      39.9
      88.0      41.3
      89.0      12.2
      99.0       1.0
     103.0       3.5
     114.0       2.4
     117.0      23.8
     118.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₃	0.04 ml : 0.5 ml CDCl₃
ethyl DL-3-hydroxybutyrate

    Assign.     Shift(ppm)

      A             4.19
      B             4.173
      C             3.18
      D     *1      2.49
      E     *1      2.43
      F             1.256
      G             1.229

     Hz     ppm     Int.

    384.56   4.294     97
    377.38   4.214    290
    373.25   4.168     42
    370.19   4.134    299
    367.31   4.102     25
    367.00   4.098     25
    363.19   4.056    103
    284.81   3.181     60
    222.69   2.487    455
    217.44   2.428    196
    215.75   2.410    201
    121.38   1.356    376
    114.31   1.277    872
    113.25   1.265    826
    109.38   1.222     25
    107.00   1.195   1000

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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