Vinyl Hexanoate(3050-69-9) 13C NMR
Product NameVinyl Hexanoate
CAS3050-69-9
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3
InChIKey LZWYWAIOTBEZFN-UHFFFAOYSA-N
SmilesC(OC=C)(=O)CCCCC
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MassMS-NW-4694 vinyl hexanoate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.7 26.0 1.6 27.0 16.0 28.0 1.3 29.0 15.1 39.0 6.9 40.0 1.3 41.0 19.1 42.0 7.5 43.0 100.0 44.0 3.8 53.0 1.1 55.0 12.2 56.0 1.3 57.0 1.1 58.0 1.6 69.0 2.2 70.0 1.2 71.0 37.6 72.0 2.2 81.0 1.4 86.0 3.3 99.0 58.4 100.0 4.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 vinyl hexanoate 
Assign. Shift(ppm)
A 7.287 B 4.870 C 4.552 D 2.37 E 1.66 F 1.33 G 0.91
Hz ppm Int.662.75 7.401 518 656.44 7.330 558 648.81 7.245 588 642.50 7.174 600 443.50 4.952 605 441.94 4.935 639 429.50 4.796 512 428.00 4.779 582 411.50 4.595 643 409.94 4.578 600 405.19 4.525 631 403.63 4.507 552 221.25 2.471 248 220.25 2.460 252 217.63 2.430 62 213.56 2.385 672 210.25 2.348 65 206.50 2.306 477 205.88 2.299 536 163.63 1.828 64 159.81 1.785 63 158.31 1.768 83 157.00 1.754 160 155.19 1.733 150 153.50 1.714 117 152.94 1.708 116 151.88 1.696 118 150.25 1.678 197 149.06 1.665 219 148.06 1.654 198 145.06 1.620 111 143.50 1.603 157 142.25 1.589 187 141.31 1.578 151 139.06 1.553 95 137.75 1.539 86 135.56 1.514 126 134.75 1.505 104 133.00 1.486 72 131.81 1.472 99 131.06 1.464 95 129.63 1.448 119 124.44 1.390 568 121.50 1.357 485 120.56 1.347 408 119.13 1.331 399 117.19 1.309 523 114.06 1.274 281 113.38 1.266 283 110.25 1.232 227 108.06 1.207 78 89.50 1.000 86 87.25 0.975 321 86.56 0.967 334 84.63 0.945 225 80.94 0.904 1000 75.00 0.838 242 73.56 0.822 158 72.00 0.804 68 70.88 0.792 72
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
