ethyl-(E)-cinnamate,ethyl-trans-cinnamate(4192-77-2) IR2
Product Nameethyl-(E)-cinnamate,ethyl-trans-cinnamate
CAS4192-77-2
Molecular FormulaC11H12O2
Molecular Weight176.21
InChIInChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKey KBEBGUQPQBELIU-CMDGGOBGSA-N
SmilesC(OCC)(=O)/C=C/C1=CC=CC=C1
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MassMS-NW-0442 ethyl trans-cinnamate C11H12O2 (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 3.8 18.0 17.0 26.0 1.4 27.0 5.3 28.0 17.5 29.0 5.8 31.0 1.7 32.0 2.4 39.0 2.5 41.0 1.2 43.0 1.9 44.0 12.4 45.0 1.7 50.0 5.1 51.0 14.3 51.5 1.6 52.0 2.4 53.0 1.0 62.0 1.3 63.0 2.9 65.0 1.1 69.0 1.5 74.0 2.4 75.0 2.9 76.0 4.0 77.0 30.0 78.0 4.1 91.0 4.0 101.0 1.5 102.0 11.6 103.0 44.4 104.0 15.2 105.0 3.6 106.0 1.1 107.0 1.0 115.0 1.0 117.0 1.2 120.0 1.4 130.0 3.8 131.0 100.0 132.0 12.3 133.0 1.7 147.0 11.5 148.0 13.6 149.0 1.5 158.0 2.3 161.0 1.2 175.0 3.7 176.0 35.8 177.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H12 O2 10.7 mol% in CDCl3 ethyl trans-cinnamate 
Assign. Shift(ppm)
A 1.317 B 4.244 C 6.43 D 7.67 E 7.24 to 7.57 J(C,D)=15.8HZ
Hz ppm Int.695.69 7.768 170 679.69 7.590 232 676.44 7.553 62 674.63 7.533 55 674.25 7.529 57 673.44 7.520 82 672.81 7.513 84 671.63 7.500 75 670.88 7.491 81 669.38 7.475 118 668.69 7.467 97 667.56 7.454 119 666.38 7.441 220 665.06 7.426 106 663.06 7.404 145 661.38 7.385 143 659.63 7.366 349 658.50 7.353 170 656.94 7.336 211 656.31 7.329 210 654.81 7.312 112 653.94 7.302 45 652.94 7.291 228 651.31 7.273 35 582.38 6.503 431 566.38 6.325 326 391.06 4.367 113 383.81 4.286 408 376.69 4.207 426 369.69 4.128 135 124.69 1.393 450 117.63 1.314 1000 110.44 1.234 389
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
