Methyl 3-oxovalerate(30414-53-0) IR1
Product NameMethyl 3-oxovalerate
CAS30414-53-0
Molecular FormulaC6H10O3
Molecular Weight130.14
InChIInChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3
InChIKey XJMIXEAZMCTAGH-UHFFFAOYSA-N
SmilesC(OC)(=O)CC(=O)CC
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MassMS-IW-6974 methyl 3-oxovalerate C6H10O3 (Mass of molecular ion: 130)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 10.3 26.0 1.5 27.0 9.8 28.0 4.9 29.0 47.4 30.0 1.3 31.0 3.9 32.0 1.8 39.0 1.5 41.0 2.4 42.0 10.0 43.0 14.8 44.0 1.5 45.0 1.0 55.0 2.5 56.0 4.7 57.0 100.0 58.0 4.0 59.0 35.3 69.0 16.6 70.0 1.3 74.0 2.9 98.0 5.3 99.0 9.7 101.0 42.4 102.0 2.2 130.0 18.4 131.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 O3 0.05 ml : 0.5 ml CDCl3 methyl 3-oxovalerate 
Assign. Shift(ppm)
A 3.734 B 3.481 C 2.587 D 1.076
Hz ppm Int.
1497.57 3.748 35 1492.44 3.735 1000 1391.52 3.482 678 1044.96 2.615 125 1037.82 2.597 332 1030.49 2.579 339 1023.17 2.561 130 437.40 1.095 436 434.65 1.088 24 430.07 1.077 685 427.51 1.070 39 426.23 1.067 22 425.13 1.064 33 422.75 1.058 413
in CDCl3
liquid film
