2-ETHYL-2-HYDROXYBUTYRIC ACID(3639-21-2) IR1
Product Name2-ETHYL-2-HYDROXYBUTYRIC ACID
CAS3639-21-2
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChIKey LXVSANCQXSSLPA-UHFFFAOYSA-N
SmilesC(O)(=O)C(CC)(O)CC
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MassMS-NW-6580 2-ethyl-2-hydroxybutyric acid C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.3 17.0 2.7 18.0 11.9 19.0 1.4 26.0 3.7 27.0 23.3 28.0 10.6 29.0 61.9 30.0 2.0 31.0 9.4 38.0 1.5 39.0 11.0 40.0 2.8 41.0 32.7 42.0 4.0 43.0 13.4 44.0 5.9 45.0 81.6 46.0 1.9 47.0 2.9 50.0 1.0 51.0 1.4 53.0 8.8 54.0 1.1 55.0 6.7 56.0 4.2 57.0 97.7 58.0 4.2 59.0 2.2 67.0 5.0 68.0 2.7 69.0 24.8 70.0 2.5 71.0 2.1 75.0 3.2 81.0 4.2 85.0 2.0 86.0 6.5 87.0 100.0 88.0 6.0 89.0 1.9 96.0 4.2 97.0 1.0 99.0 6.9 102.0 1.3 103.0 10.1 104.0 1.3 114.0 8.8 115.0 1.1
90 MHz in D2O
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1H NMR 89.56 MHz C6 H12 O3 0.040 g : 0.5 ml D2O 2-ethyl-2-hydroxybutyric acid 
Assign. Shift(ppm)
A *1 1.83 B *1 1.64 C 0.879 SOLVENT PEAK REMOVED
Hz ppm Int.169.36 1.892 69 167.74 1.873 39 165.09 1.844 63 164.92 1.842 63 161.33 1.802 187 157.57 1.760 192 153.55 1.715 218 150.39 1.680 228 146.29 1.634 111 143.55 1.603 131 136.04 1.519 30 85.28 0.953 499 78.10 0.873 1000 74.17 0.829 33 73.83 0.825 31 70.41 0.787 307
in D2O
KBr disc
nujol mull
