Ethyl pivaloylacetate(17094-34-7) MS
Product NameEthyl pivaloylacetate
CAS17094-34-7
Molecular FormulaC9H16O3
Molecular Weight172.22
InChIInChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3
InChIKey VUYNTIDSHCJIKF-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(=O)C(C)(C)C
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MassMS-NW-9405 ethyl 4,4-dimethyl-3-oxovalerate C9H16O3 (Mass of molecular ion: 172)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.5 27.0 7.0 28.0 2.8 29.0 31.6 31.0 5.3 39.0 5.8 40.0 1.1 41.0 33.0 42.0 5.3 43.0 11.0 44.0 1.5 45.0 5.4 46.0 1.0 55.0 2.9 56.0 5.7 57.0 100.0 58.0 4.6 59.0 1.0 60.0 9.7 61.0 7.7 69.0 9.8 70.0 7.7 71.0 2.0 83.0 1.3 85.0 11.1 87.0 17.2 88.0 29.1 89.0 2.0 111.0 3.2 115.0 16.6 116.0 1.0 117.0 3.2 127.0 2.1 144.0 6.4 172.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O3 0.05 ml : 0.5 ml CDCl3 ethyl 4,4-dimethyl-3-oxovalerate 
Assign. Shift(ppm)
A 4.187 B 3.558 C 1.274 D 1.178
Hz ppm Int.1684.33 4.215 58 1677.12 4.197 174 1669.92 4.179 179 1662.84 4.161 64 1422.00 3.559 423 516.36 1.293 196 509.16 1.275 360 502.08 1.257 186 470.83 1.179 1000
in CDCl3
liquid film
