Ethyl 4-acetylbutyrate(13984-57-1) 1H NMR
Product NameEthyl 4-acetylbutyrate
CAS13984-57-1
Molecular FormulaC8H14O3
Molecular Weight158.2
InChIInChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
InChIKey MGPSIDGTLFKDEY-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCC(=O)C
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MassMS-IW-7535 ethyl 5-oxohexanoate C8H14O3 (Mass of molecular ion: 158)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 5.1 18.0 3.1 26.0 3.2 27.0 13.3 28.0 6.5 29.0 18.0 31.0 4.9 39.0 6.3 40.0 1.8 41.0 8.8 42.0 20.3 43.0 100.0 44.0 4.7 45.0 15.2 46.0 1.2 49.0 1.1 53.0 1.2 55.0 37.5 56.0 1.8 58.0 9.8 60.0 18.2 61.0 11.9 67.0 1.0 68.0 1.4 69.0 5.2 70.0 14.8 71.0 10.8 73.0 10.8 83.0 2.2 84.0 25.8 85.0 37.9 86.0 2.6 87.0 19.4 88.0 51.8 89.0 3.5 94.0 1.1 97.0 3.7 101.0 10.3 111.0 1.2 112.0 70.5 113.0 62.4 114.0 4.5 115.0 10.4 116.0 4.9 143.0 3.2 158.0 3.6 159.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O3 0.085 g : 0.5 ml CDCl3 ethyl 5-oxohexanoate 
Assign. Shift(ppm)
A 4.126 B 2.523 C 2.330 D 2.148 E 1.887 F 1.258
Hz ppm Int.1659.91 4.154 154 1652.83 4.136 425 1645.63 4.118 419 1638.55 4.100 155 1015.99 2.543 181 1008.79 2.525 343 1001.59 2.507 199 938.84 2.350 230 931.52 2.331 455 924.32 2.313 263 858.76 2.149 1000 768.68 1.924 65 761.35 1.906 251 754.15 1.888 364 746.95 1.870 243 739.75 1.851 51 509.77 1.276 508 502.69 1.258 856 495.48 1.240 480
in CDCl3
liquid film
