Ethyl butyrate(105-54-4) MS
Product NameEthyl butyrate
CAS105-54-4
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey OBNCKNCVKJNDBV-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCC
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MassMS-NW-0441 ethyl butyrate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.1 15.0 5.0 18.0 2.1 26.0 4.8 27.0 42.0 28.0 9.1 29.0 65.2 30.0 1.5 31.0 2.7 38.0 1.3 39.0 12.0 40.0 2.1 41.0 29.0 42.0 12.2 43.0 99.5 44.0 3.6 45.0 18.7 55.0 3.8 57.0 1.3 60.0 21.9 61.0 9.8 70.0 8.3 71.0 100.0 72.0 4.6 73.0 18.5 88.0 51.5 89.0 14.0 101.0 7.5 116.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 ethyl butyrate 
Assign. Shift(ppm)
A 4.126 B 2.27 C 1.65 D 1.256 E 0.96
Hz ppm Int.380.63 4.251 103 373.38 4.170 340 366.25 4.090 354 359.19 4.011 120 211.81 2.366 88 210.75 2.354 99 203.75 2.276 204 197.06 2.201 165 196.31 2.192 176 166.50 1.860 34 159.94 1.786 59 159.06 1.777 77 153.06 1.710 56 152.06 1.698 150 151.06 1.687 79 150.50 1.681 55 145.06 1.620 102 144.31 1.612 98 143.81 1.606 124 138.56 1.548 33 137.19 1.532 90 136.69 1.527 66 130.44 1.457 34 119.38 1.333 453 112.38 1.255 1000 105.13 1.174 396 92.63 1.035 146 91.94 1.027 272 85.06 0.950 584 84.38 0.943 283 78.31 0.875 92 77.44 0.865 160 76.44 0.854 82
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
