Ethyl 2-ethylacetoacetate(607-97-6) IR1
Product NameEthyl 2-ethylacetoacetate
CAS607-97-6
Molecular FormulaC8H14O3
Molecular Weight158.2
InChIInChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
InChIKey OKANYBNORCUPKZ-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CC)C(=O)C
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MassMS-NW-5836 ethyl 2-ethyl-3-oxobutyrate C8H14O3 (Mass of molecular ion: 158)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.9 18.0 2.2 26.0 1.9 27.0 11.1 28.0 2.6 29.0 19.6 31.0 5.6 39.0 4.7 40.0 1.1 41.0 6.9 42.0 2.5 43.0 100.0 44.0 4.6 45.0 6.2 46.0 1.0 55.0 12.8 57.0 1.7 58.0 1.6 60.0 1.0 61.0 1.7 69.0 5.4 70.0 8.1 71.0 10.6 73.0 36.3 74.0 1.5 84.0 3.2 85.0 1.7 86.0 2.3 87.0 5.0 88.0 11.3 89.0 3.7 97.0 1.4 101.0 28.1 102.0 2.5 112.0 1.0 113.0 12.0 114.0 1.0 115.0 1.3 116.0 40.4 117.0 3.0 130.0 4.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O3 0.04 ml : 0.5 ml CDCl3 ethyl 2-ethyl-3-oxobutyrate 
Assign. Shift(ppm)
A 4.199 B 3.336 C 2.225 D 1.88 E 1.278 F 0.94 J(A,E)=7.1HZ. J(B,D)=7.3HZ. J(B,C)=0.3HZ.
Hz ppm Int.387.06 4.322 70 379.94 4.243 240 372.81 4.163 259 365.75 4.084 83 306.44 3.422 47 299.13 3.340 101 291.75 3.258 57 199.06 2.223 1000 176.06 1.966 82 168.75 1.885 136 161.44 1.803 127 154.69 1.728 32 154.19 1.722 33 121.50 1.357 260 114.50 1.279 519 107.25 1.198 230 91.00 1.017 168 89.38 0.998 37 83.88 0.937 293 76.31 0.853 113
in CDCl3
liquid film
