Methyl pivaloylacetate(55107-14-7) IR1
Product NameMethyl pivaloylacetate
CAS55107-14-7
Molecular FormulaC8H14O3
Molecular Weight158.2
InChIInChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3
InChIKey XTXCFTMJPRXBBC-UHFFFAOYSA-N
SmilesC(OC)(=O)CC(=O)C(C)(C)C
-
MassMS-NW-9409 methyl 4,4-dimethyl-3-oxovalerate C8H14O3 (Mass of molecular ion: 158)
Source Temperature: 270 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 5.9 27.0 4.2 28.0 2.0 29.0 24.7 31.0 3.2 32.0 1.9 39.0 6.8 40.0 1.2 41.0 38.4 42.0 4.8 43.0 10.2 44.0 1.2 55.0 3.4 56.0 5.6 57.0 100.0 58.0 4.6 59.0 7.4 69.0 16.2 70.0 1.2 71.0 1.6 74.0 22.7 75.0 1.4 83.0 1.4 85.0 8.1 101.0 27.2 102.0 1.2 103.0 3.8 111.0 2.6 127.0 1.2 130.0 7.0 158.0 2.0
parameter in CDCl3
-
1H NMR 300 MHz C8 H14 O3 0.05 ml : 0.5 ml CDCl3 methyl 4,4-dimethyl-3-oxovalerate 
Parameter ppm Hz
D(A) 3.725 D(B) 3.576 D(C) 1.176
Hz ppm Int.1117.49 3.725 333 1072.79 3.576 222 352.79 1.176 1000
in CDCl3
liquid film
