alpha-Hexylcinnamaldehyde(101-86-0) IR1
Product Namealpha-Hexylcinnamaldehyde
CAS101-86-0
Molecular FormulaC15H20O
Molecular Weight216.32
InChIInChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3
InChIKey GUUHFMWKWLOQMM-UHFFFAOYSA-N
SmilesC(=O)C(=CC1=CC=CC=C1)CCCCCC
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MassMS-IW-6337 alpha-hexylcinnamaldehyde C15H20O (Mass of molecular ion: 216)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 5.7 29.0 7.6 39.0 7.8 41.0 12.0 42.0 1.2 43.0 11.1 50.0 1.2 51.0 4.9 52.0 1.3 53.0 3.2 54.0 1.2 55.0 8.4 57.0 2.9 63.0 3.2 65.0 5.7 67.0 5.1 68.0 1.5 69.0 3.0 71.0 1.4 75.0 1.2 76.0 1.7 77.0 9.0 78.0 6.8 79.0 3.3 81.0 3.4 82.0 11.3 83.0 10.4 84.0 1.3 89.0 3.8 91.0 53.7 92.0 8.1 93.0 1.2 95.0 6.3 96.0 2.3 97.0 1.6 99.0 1.6 102.0 3.4 103.0 4.9 104.0 9.5 105.0 8.1 107.0 2.7 109.0 1.7 115.0 41.1 116.0 22.7 117.0 63.5 118.0 12.8 119.0 1.7 120.0 1.9 125.0 5.0 126.0 1.0 127.0 7.2 128.0 15.0 129.0 100.0 130.0 22.2 131.0 33.4 132.0 8.1 133.0 3.4 139.0 1.3 141.0 13.3 142.0 5.0 143.0 6.4 144.0 3.2 145.0 43.8 146.0 10.5 147.0 2.3 153.0 1.6 154.0 1.0 155.0 7.0 156.0 1.8 157.0 1.4 158.0 4.6 159.0 14.7 160.0 3.3 165.0 2.0 167.0 1.5 169.0 5.6 170.0 1.0 173.0 15.2 174.0 11.2 175.0 1.4 185.0 3.1 187.0 2.0 198.0 2.6 200.0 4.9 201.0 1.1 215.0 22.9 216.0 44.9 217.0 7.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H20 O 0.05 ml : 0.5 ml CDCl3 alpha-hexylcinnamaldehyde 
Assign. Shift(ppm)
A 9.34 B 7.476 C 7.439 D 7.388 E 7.191 F 2.521 G 1.487 J 1.37 K 1.29 L 0.879
Hz ppm Int.3810.96 9.536 867 2999.53 7.506 237 2997.89 7.502 326 2995.87 7.497 147 2990.74 7.484 589 2990.01 7.482 551 2987.81 7.477 138 2981.40 7.461 261 2979.94 7.457 352 2977.92 7.452 146 2974.99 7.444 186 2972.98 7.439 662 2971.14 7.435 271 2966.93 7.424 205 2965.47 7.421 326 2963.27 7.415 91 2959.97 7.407 197 2958.51 7.403 324 2956.86 7.399 185 2954.11 7.392 126 2951.36 7.385 302 2948.25 7.378 105 2945.50 7.371 96 2944.40 7.368 128 2942.94 7.364 110 2941.65 7.361 52 2874.25 7.192 644 1016.21 2.543 310 1008.51 2.524 318 1006.32 2.519 200 1000.27 2.503 348 610.86 1.529 65 609.94 1.527 63 603.53 1.511 167 601.15 1.505 128 599.14 1.500 134 595.11 1.490 253 590.71 1.479 174 587.78 1.471 227 585.03 1.464 153 580.09 1.452 114 562.69 1.408 70 556.28 1.392 172 554.81 1.389 164 549.87 1.376 196 548.58 1.373 200 547.30 1.370 198 541.26 1.355 170 534.66 1.338 120 532.46 1.333 111 528.07 1.322 167 521.11 1.304 590 517.08 1.294 522 514.15 1.287 664 511.03 1.279 374 507.00 1.269 237 501.51 1.255 60 357.72 0.896 374 356.63 0.893 345 355.34 0.890 261 350.76 0.878 1000 345.82 0.866 233 343.62 0.860 335 335.74 0.841 41
in CDCl3
liquid film
