3-Hydroxypivalic acid(4835-90-9) IR2
Product Name3-Hydroxypivalic acid
CAS4835-90-9
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
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MassMS-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
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1H NMR 399.65 MHz C5 H10 O3 0.029 g : 0.5 ml CDCl3 at 50C 3-hydroxy-2,2-dimethylpropionic acid 
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
KBr disc
nujol mull
