4-METHOXYCINNAMIC ACID 2-ETHYLHEXYL ESTER(83834-59-7) 1H NMR
Product Name4-METHOXYCINNAMIC ACID 2-ETHYLHEXYL ESTER
CAS83834-59-7
Molecular FormulaC18H26O3
Molecular Weight290.4
InChIInChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
InChIKey YBGZDTIWKVFICR-JLHYYAGUSA-N
SmilesC(OCC(CC)CCCC)(=O)/C=C/C1=CC=C(OC)C=C1
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MassMS-IW-4187 2-ethylhexyl trans-4-methoxycinnamate C18H26O3 (Mass of molecular ion: 290)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 29.0 1.6 41.0 3.2 43.0 2.7 55.0 3.4 56.0 1.5 57.0 2.7 69.0 1.8 70.0 3.5 77.0 1.9 79.0 1.1 83.0 1.5 89.0 1.1 90.0 1.6 103.0 1.3 118.0 2.4 121.0 6.3 132.0 1.8 133.0 9.0 134.0 9.3 135.0 1.5 147.0 1.1 161.0 40.3 162.0 4.8 163.0 1.0 177.0 4.5 178.0 100.0 179.0 13.5 180.0 2.1 290.0 8.7 291.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H26 O3 0.05 ml : 0.5 ml CDCl3 2-ethylhexyl trans-4-methoxycinnamate 
Assign. Shift(ppm)
A 7.634 B 7.468 C 6.888 D 6.318 E *1 4.12 F *1 4.11 G 3.809 J 1.642 K 1.41 L 1.35 M 1.32 N 0.93 P 0.91 J(A,D)=16.0 Hz J(E,F)=-11.0 Hz J(E,J)=5.7 Hz J(F,J)=6.0 Hz
Hz ppm Int.3059.08 7.655 129 3043.09 7.615 135 2989.01 7.480 207 2987.30 7.475 67 2982.18 7.462 76 2980.47 7.458 227 2760.01 6.907 30 2757.20 6.900 242 2755.25 6.895 73 2750.37 6.882 76 2748.41 6.878 225 2532.96 6.338 250 2516.97 6.298 239 1647.71 4.123 151 1645.14 4.117 154 1641.97 4.109 157 1639.16 4.102 149 1522.46 3.810 1000 657.23 1.645 43 651.25 1.630 37 573.24 1.435 61 570.92 1.429 31 568.97 1.424 62 566.89 1.419 63 565.67 1.416 66 562.38 1.408 71 561.52 1.406 70 559.33 1.400 60 555.18 1.390 71 551.88 1.381 33 550.17 1.377 31 547.85 1.371 49 542.85 1.359 69 541.38 1.355 60 537.11 1.344 113 531.49 1.330 141 529.30 1.325 215 524.78 1.314 163 521.24 1.305 78 518.92 1.299 65 376.95 0.944 243 369.51 0.925 534 362.18 0.907 405 355.22 0.889 97
in CDCl3
liquid film
