Ethyl 2,4-dioxovalerate(615-79-2) MS
Product NameEthyl 2,4-dioxovalerate
CAS615-79-2
Molecular FormulaC7H10O4
Molecular Weight158.15
InChIInChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
InChIKey OYQVQWIASIXXRT-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(=O)CC(=O)C
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MassMS-IW-1280 ethyl 2,4-dioxovalerate C7H10O4 (Mass of molecular ion: 158)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.8 27.0 4.9 28.0 2.5 29.0 10.1 31.0 6.5 39.0 1.8 41.0 2.8 42.0 3.7 43.0 52.9 44.0 3.6 45.0 4.1 46.0 1.2 58.0 5.5 69.0 6.8 84.0 2.9 85.0 100.0 86.0 5.0 158.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H10 O4 0.05 ml : 0.5 ml CDCl3 ethyl 2,4-dioxovalerate 
Assign. Shift(ppm)
A 6.390 B 4.354 C 2.276 D 1.381
Hz ppm Int.2553.71 6.390 502 1750.85 4.381 124 1747.80 4.374 24 1743.77 4.364 344 1740.72 4.356 27 1736.57 4.346 338 1729.49 4.328 126 909.55 2.276 1000 906.25 2.268 43 561.40 1.405 43 559.20 1.400 357 555.91 1.391 37 554.20 1.387 64 552.00 1.382 623 548.83 1.374 40 547.12 1.369 34 544.80 1.364 335 541.75 1.356 21
liquid film
