Allyl hexanoate(123-68-2) Raman
Product NameAllyl hexanoate
CAS123-68-2
Molecular FormulaC9H16O2
Molecular Weight156.22
InChIInChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CCCCC
-
MassMS-NW-0159 allyl hexanoate C9H16O2 (Mass of molecular ion: 156)
Source Temperature: 210 °C Sample Temperature: 80 °C Reservoir, 75 eV
15.0 2.2 18.0 1.2 26.0 2.3 27.0 23.7 28.0 7.5 29.0 24.2 31.0 1.6 38.0 1.9 39.0 31.3 40.0 5.3 41.0 87.6 42.0 10.6 43.0 97.7 44.0 3.2 45.0 2.3 53.0 2.1 54.0 7.5 55.0 23.6 56.0 7.6 57.0 10.3 58.0 7.0 59.0 1.1 60.0 2.2 67.0 1.5 69.0 23.4 70.0 2.8 71.0 61.1 72.0 3.5 73.0 6.3 81.0 2.0 82.0 3.5 83.0 1.0 85.0 1.6 97.0 6.8 98.0 1.3 99.0 100.0 100.0 29.9 101.0 2.3 113.0 10.6 114.0 1.1 117.0 2.3 127.0 3.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H16 O2 0.05 ml : 0.5 ml CDCl3 allyl hexanoate 
Assign. Shift(ppm)
A 5.920 B 5.313 C 5.225 D 4.577 E 2.331 F 1.644 G 1.33 J 1.31 K 0.900
Hz ppm Int.2386.23 5.971 82 2380.49 5.957 167 2375.73 5.945 99 2374.76 5.943 93 2370.00 5.931 185 2369.02 5.928 108 2364.38 5.917 108 2363.28 5.914 198 2358.52 5.902 112 2357.54 5.900 108 2352.91 5.888 199 2347.17 5.874 106 2133.91 5.340 108 2132.45 5.336 296 2130.86 5.332 308 2129.27 5.328 120 2116.82 5.297 95 2115.23 5.293 260 2113.65 5.289 271 2112.06 5.285 106 2095.21 5.243 122 2093.87 5.240 290 2092.65 5.237 275 2091.19 5.233 113 2084.72 5.217 110 2083.50 5.214 277 2082.28 5.211 255 2080.81 5.207 108 1833.50 4.588 373 1832.03 4.585 569 1830.57 4.581 357 1827.76 4.574 363 1826.29 4.570 551 1824.83 4.567 353 939.21 2.351 486 931.88 2.332 733 924.19 2.313 518 672.36 1.683 81 668.95 1.674 38 667.24 1.670 65 664.92 1.664 220 662.11 1.657 103 657.35 1.645 290 654.42 1.638 131 649.90 1.627 210 647.22 1.620 78 644.41 1.613 49 642.46 1.608 85 546.75 1.369 35 546.02 1.367 35 542.85 1.359 71 540.41 1.353 55 537.84 1.346 137 535.77 1.341 170 533.45 1.335 349 529.79 1.326 457 526.25 1.317 525 524.78 1.314 310 522.34 1.307 331 518.80 1.299 149 517.46 1.295 151 514.16 1.287 85 512.33 1.282 47 509.16 1.275 42 366.46 0.917 415 359.50 0.900 1000 355.47 0.890 148 352.29 0.882 382
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
