N-HEXYL ACRYLATE(2499-95-8) 1H NMR
Product NameN-HEXYL ACRYLATE
CAS2499-95-8
Molecular FormulaC9H16O2
Molecular Weight156.22
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
InChIKey LNMQRPPRQDGUDR-UHFFFAOYSA-N
SmilesC(OCCCCCC)(=O)C=C
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MassMS-IW-4783 hexyl acrylate C9H16O2 (Mass of molecular ion: 156)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.3 27.0 20.2 28.0 3.1 29.0 8.4 31.0 1.2 39.0 4.9 40.0 1.0 41.0 19.9 42.0 22.4 43.0 26.9 44.0 1.5 53.0 1.6 54.0 3.1 55.0 100.0 56.0 69.3 57.0 6.7 67.0 1.8 68.0 1.1 69.0 24.6 70.0 4.7 71.0 1.5 73.0 49.3 74.0 2.2 82.0 1.5 83.0 6.3 84.0 46.2 85.0 7.0 96.0 1.2 97.0 1.4 98.0 1.1 99.0 1.8 113.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O2 0.05 ml : 0.5 ml CDCl3 hexyl acrylate 
Assign. Shift(ppm)
A 6.395 B 6.126 C 5.812 D 4.153 E 1.665 F 1.38 G 1.32 J 0.896
Hz ppm Int.2566.89 6.423 333 2565.31 6.419 336 2549.56 6.380 458 2547.97 6.376 461 2461.30 6.159 404 2450.93 6.133 468 2443.97 6.116 303 2433.59 6.090 347 2328.49 5.827 420 2327.03 5.823 412 2318.12 5.801 363 2316.53 5.797 361 1666.87 4.171 491 1660.16 4.155 1000 1653.32 4.137 531 680.91 1.704 61 673.95 1.687 199 667.24 1.670 264 659.30 1.650 251 652.59 1.633 105 564.33 1.413 44 557.50 1.395 118 556.15 1.392 109 550.29 1.377 159 546.63 1.368 133 545.29 1.365 128 543.33 1.360 137 541.99 1.357 175 538.94 1.349 129 536.38 1.343 179 530.88 1.329 451 527.22 1.320 463 524.29 1.312 454 520.39 1.303 266 516.48 1.293 161 512.70 1.283 53 510.99 1.279 39 508.91 1.274 35 505.00 1.264 61 364.99 0.914 294 357.91 0.896 974 351.07 0.879 326
in CDCl3
liquid film
