2-ETHYL-N-BUTYRIC ACID ETHYL ESTER(2983-38-2) 1H NMR
Product Name2-ETHYL-N-BUTYRIC ACID ETHYL ESTER
CAS2983-38-2
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
InChIKey MJGSLNIPTRPYJV-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CC)CC
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MassMS-NW-0975 ethyl 2-ethylbutyrate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 26.0 1.7 27.0 19.9 28.0 3.5 29.0 47.6 30.0 1.0 31.0 1.5 39.0 9.5 40.0 1.4 41.0 20.3 42.0 6.6 43.0 100.0 44.0 3.4 45.0 7.8 53.0 1.5 55.0 15.3 56.0 1.2 57.0 1.2 59.0 1.7 69.0 3.3 70.0 7.2 71.0 67.2 72.0 3.9 73.0 16.1 74.0 1.3 87.0 15.1 88.0 13.3 89.0 1.7 99.0 26.5 100.0 1.7 101.0 24.5 102.0 2.4 115.0 11.4 116.0 50.1 117.0 5.2 129.0 2.3
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C8 H16 O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-ethylbutyrate 
Assign. Shift(ppm)
A 4.149 B 2.186 C *1 1.62 D *1 1.51 E 1.262 F 0.895
Hz ppm Int.1668.82 4.176 179 1661.74 4.158 483 1654.54 4.140 469 1647.46 4.123 188 883.06 2.210 57 879.88 2.202 60 877.56 2.196 40 874.39 2.188 114 871.09 2.180 41 868.90 2.175 67 865.60 2.166 65 860.23 2.153 35 664.31 1.663 74 663.21 1.660 34 658.08 1.647 59 656.86 1.644 90 655.64 1.641 77 650.63 1.628 136 649.54 1.626 92 648.19 1.622 86 643.19 1.610 144 641.97 1.607 133 635.74 1.591 66 634.52 1.588 123 627.20 1.570 48 624.76 1.564 45 619.26 1.550 50 617.31 1.545 123 611.82 1.531 131 609.86 1.526 137 604.25 1.512 151 602.42 1.508 71 598.14 1.497 76 596.19 1.492 93 590.70 1.479 69 588.75 1.474 35 511.60 1.281 512 509.03 1.274 40 508.79 1.274 40 504.52 1.263 811 497.31 1.245 495 364.87 0.913 646 357.54 0.895 1000 349.98 0.876 578 343.87 0.861 31
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1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 ethyl 2-ethylbutyrate Assign. Shift(ppm)
A 4.144 B 2.173 C 1.57 D 1.262 E 0.90
Hz ppm Int.382.19 4.268 121 374.94 4.187 400 367.81 4.107 425 360.88 4.030 140 196.69 2.197 100 190.19 2.124 72 149.50 1.670 123 146.38 1.635 89 145.44 1.624 124 143.50 1.603 95 141.88 1.585 218 138.94 1.552 156 138.31 1.545 161 134.38 1.501 150 132.00 1.474 180 127.00 1.419 81 125.63 1.403 88 119.94 1.340 451 112.88 1.261 965 105.69 1.181 399 86.88 0.971 518 79.94 0.893 1000 72.38 0.809 272 71.25 0.796 159
in CDCl3
liquid film
4880 A,200 M,liquid
