Ethyl isobutyrylacetate(7152-15-0) MS
Product NameEthyl isobutyrylacetate
CAS7152-15-0
Molecular FormulaC8H14O3
Molecular Weight158.2
InChIInChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey XCLDSQRVMMXWMS-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(=O)C(C)C
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MassMS-NW-7502 ethyl isobutyrylacetate C8H14O3 (Mass of molecular ion: 158)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.4 15.0 4.9 26.0 2.5 27.0 24.0 28.0 4.9 29.0 60.9 30.0 1.4 31.0 12.7 39.0 8.7 40.0 1.7 41.0 23.6 42.0 11.4 43.0 100.0 44.0 4.7 45.0 11.4 46.0 2.1 55.0 3.5 56.0 1.1 57.0 1.2 59.0 2.7 60.0 11.2 61.0 5.5 67.0 1.0 69.0 15.0 70.0 15.0 71.0 62.1 72.0 3.1 73.0 3.3 86.0 3.1 87.0 18.9 88.0 4.3 97.0 1.7 112.0 8.5 113.0 6.3 115.0 32.9 116.0 2.3 145.0 1.8 158.0 14.2 159.0 1.5
parameter in CDCl3
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1H NMR 300 MHz C8 H14 O3 0.05 ml : 0.5 ml CDCl3 ethyl isobutyrylacetate 
Parameter ppm Hz
D(A) 4.184 D(D) 1.268 J(A,D) 7.1 D(B) 3.475 D(C) 2.683 D(E) 1.131 J(C,E) 6.9
Hz ppm Int.1265.92 4.220 81 1258.80 4.196 246 1251.71 4.172 250 1244.62 4.149 85 1042.50 3.475 667 818.82 2.729 28 811.94 2.706 69 805.02 2.683 94 798.14 2.660 73 791.22 2.637 31 387.48 1.292 253 380.36 1.268 498 373.30 1.244 245 342.74 1.142 1000 335.82 1.119 962
in CDCl3
liquid film
4880 A,200 M,liquid
