Ethyl propionylacetate(4949-44-4) 13C NMR
Product NameEthyl propionylacetate
CAS4949-44-4
Molecular FormulaC7H12O3
Molecular Weight144.17
InChIInChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
InChIKey UDRCONFHWYGWFI-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(=O)CC
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MassMS-NW-9306 ethyl 3-oxovalerate C7H12O3 (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.0 26.0 2.7 27.0 18.9 28.0 7.4 29.0 76.2 30.0 2.4 31.0 9.1 39.0 2.0 41.0 4.4 42.0 12.2 43.0 46.0 44.0 2.4 45.0 7.4 46.0 1.7 53.0 1.1 55.0 2.9 56.0 6.0 57.0 100.0 58.0 4.6 60.0 5.5 61.0 2.2 69.0 12.8 70.0 3.0 71.0 1.0 72.0 3.7 73.0 2.1 87.0 14.4 88.0 3.8 98.0 8.4 99.0 14.2 101.0 1.0 115.0 21.3 116.0 3.3 144.0 18.9 145.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O3 0.05 ml : 0.5 ml CDCl3 ethyl 3-oxovalerate 
Assign. Shift(ppm)
A 4.195 B 3.455 C 2.583 D 1.282 E 1.084
Hz ppm Int.1687.13 4.222 184 1685.67 4.218 40 1682.98 4.212 35 1679.93 4.204 501 1678.47 4.200 87 1675.90 4.194 35 1672.73 4.186 515 1671.39 4.183 86 1665.65 4.168 192 1664.31 4.165 31 1380.86 3.456 1000 1043.46 2.611 160 1036.13 2.593 438 1028.81 2.575 456 1021.61 2.557 172 519.53 1.300 549 512.82 1.284 863 512.45 1.283 976 507.08 1.269 59 505.25 1.265 564 439.45 1.100 539 436.77 1.093 44 436.28 1.092 43 432.25 1.082 965 424.93 1.064 544
in CDCl3
liquid film
