ALLYL CINNAMATE(1866-31-5) Raman
Product NameALLYL CINNAMATE
CAS1866-31-5
Molecular FormulaC12H12O2
Molecular Weight188.22
InChIInChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2
InChIKey KCMITHMNVLRGJU-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)C=CC1=CC=CC=C1
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MassMS-NW-8878 allyl trans-cinnamate C12H12O2 (Mass of molecular ion: 188)
Source Temperature: 280 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 2.9 27.0 2.7 28.0 1.5 29.0 2.3 31.0 1.5 39.0 7.9 40.0 1.1 41.0 9.7 50.0 2.8 51.0 11.2 52.0 1.8 55.0 1.2 57.0 6.2 58.0 1.2 63.0 1.8 69.0 3.6 74.0 1.2 75.0 1.8 76.0 3.2 77.0 32.3 78.0 3.7 91.0 5.6 97.0 2.3 102.0 7.6 103.0 52.9 104.0 34.3 105.0 8.1 106.0 4.0 107.0 1.4 115.0 1.2 116.0 1.6 128.0 7.1 129.0 7.4 130.0 1.3 131.0 100.0 132.0 11.8 133.0 1.8 141.0 1.2 142.0 4.5 143.0 19.6 144.0 2.9 147.0 6.0 148.0 1.5 170.0 1.1 173.0 4.2 188.0 12.0 189.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H12 O2 0.04 ml : 0.5 ml CDCl3 allyl trans-cinnamate 
Assign. Shift(ppm)
A 7.704 B 7.53 C 7.45 D 7.37 E 6.471 F 5.97 G 5.39 J 5.28 K 4.715
Hz ppm Int.700.31 7.820 32 697.75 7.791 424 681.69 7.612 565 678.19 7.573 69 677.63 7.567 68 675.88 7.547 161 672.31 7.507 234 668.69 7.467 338 667.00 7.448 349 665.75 7.434 570 662.38 7.396 452 659.13 7.360 1000 656.06 7.326 629 652.50 7.286 512 649.19 7.249 204 644.31 7.195 33 644.00 7.191 31 584.31 6.525 785 580.63 6.484 34 568.31 6.346 595 555.94 6.208 52 550.31 6.145 103 545.81 6.095 72 544.81 6.084 67 540.25 6.033 133 538.75 6.016 95 534.81 5.972 82 533.13 5.953 177 528.63 5.903 127 527.63 5.892 124 523.06 5.841 226 517.69 5.781 143 489.19 5.463 100 487.56 5.444 266 486.00 5.427 364 484.56 5.411 180 476.13 5.317 145 474.94 5.304 290 473.25 5.285 256 472.06 5.271 198 470.50 5.254 207 468.88 5.236 216 467.38 5.219 121 466.19 5.206 120 464.88 5.191 212 463.19 5.172 228 462.00 5.159 135 424.13 4.736 388 422.88 4.722 670 421.63 4.708 430 418.69 4.675 392 417.38 4.661 659 416.06 4.646 405 409.56 4.574 33 408.81 4.565 32
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,
