(E)-2-Butenoic acid isobutyl ester(73545-15-0) MS
Product Name(E)-2-Butenoic acid isobutyl ester
CAS73545-15-0
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey XDOWKOALJBOBBL-SNAWJCMRSA-N
SmilesC(OCC(C)C)(=O)/C=C/C
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MassMS2017-05389CM isobutyl trans-crotonate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 3.8 28.0 3.4 29.0 5.4 38.0 1.2 39.0 16.3 40.0 2.9 41.0 39.5 42.0 2.3 43.0 2.4 55.0 4.0 56.0 30.3 57.0 5.1 68.0 2.2 69.0 100.0 70.0 7.3 73.0 2.4 85.0 1.0 86.0 1.0 87.0 57.6 88.0 2.6 99.0 4.7 112.0 1.0 127.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 isobutyl trans-crotonate 
Assign. Shift(ppm)
A 6.981 B 5.863 C 3.911 D 1.958 E 1.883 F 0.947
Hz ppm Int.2801.64 7.011 68 2794.80 6.994 70 2786.13 6.972 75 2779.17 6.955 74 2353.52 5.889 32 2351.81 5.885 82 2350.10 5.881 83 2348.51 5.877 32 2338.01 5.851 31 2336.30 5.846 79 2334.59 5.842 78 1566.53 3.920 348 1559.81 3.903 364 796.39 1.993 32 789.67 1.976 62 782.96 1.960 78 776.25 1.943 64 769.53 1.926 35 756.84 1.894 283 755.13 1.890 295 750.00 1.877 294 748.29 1.873 302 385.86 0.966 75 381.96 0.956 959 379.27 0.950 115 375.24 0.939 1000 371.34 0.930 66 370.12 0.927 42
in CDCl3
Liquid film
