Methyl trimethylacetate(598-98-1) IR2
Product NameMethyl trimethylacetate
CAS598-98-1
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3
InChIKey CNMFHDIDIMZHKY-UHFFFAOYSA-N
SmilesC(OC)(=O)C(C)(C)C
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MassMS-NW-1205 methyl pivalate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 7.1 27.0 4.5 28.0 1.7 29.0 21.3 39.0 7.3 40.0 1.4 41.0 33.6 42.0 2.7 43.0 1.0 55.0 2.7 56.0 25.4 57.0 100.0 58.0 4.4 59.0 4.6 69.0 2.6 73.0 7.0 85.0 6.6 101.0 3.3 116.0 3.7
parameter in CDCl3
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1H NMR 300 MHz C6 H12 O2 0.02 ml : 0.5 ml CDCl3 methyl pivalate 
Parameter ppm Hz
D(A) 3.663 D(B) 1.200
Hz ppm Int.1098.91 3.663 333 360.00 1.200 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
