Oleylamine(112-90-3) MS
Product NameOleylamine
CAS112-90-3
Molecular FormulaC18H37N
Molecular Weight267.49
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-
InChIKey QGLWBTPVKHMVHM-KTKRTIGZSA-N
SmilesC(N)CCCCCCC/C=C\CCCCCCCC
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MassMS-NW-8361 cis-9-octadecenylamine C18H37N (Mass of molecular ion: 267)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
17.0 3.6 18.0 24.5 27.0 2.2 28.0 7.1 29.0 5.1 30.0 100.0 31.0 2.2 32.0 1.2 39.0 1.8 41.0 11.8 42.0 2.5 43.0 11.5 44.0 24.0 45.0 8.9 47.0 1.9 53.0 1.0 54.0 2.5 55.0 11.5 56.0 8.5 57.0 4.5 58.0 1.1 59.0 2.8 67.0 4.9 68.0 1.9 69.0 5.9 70.0 2.9 71.0 1.5 72.0 2.7 73.0 2.6 75.0 12.3 77.0 1.9 81.0 4.1 82.0 3.6 83.0 3.8 84.0 1.6 86.0 4.4 87.0 1.1 95.0 3.0 96.0 2.8 97.0 2.5 98.0 1.1 100.0 11.9 101.0 1.2 109.0 1.5 110.0 1.2 111.0 1.0 112.0 1.3 114.0 3.3 140.0 1.7 142.0 1.0 147.0 1.1 154.0 5.5 168.0 3.2 182.0 2.6 196.0 1.1 267.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C18 H37 N 0.04 ml : 0.5 ml CDCl3 cis-9-octadecenylamine 
Assign. Shift(ppm)
A 5.45 to 5.26 B 2.67 C 1.99 D 1.50 to 1.17 E 1.13 F 0.88 400MHZ : HSP-40-522
Hz ppm Int.483.06 5.394 51 481.88 5.381 39 479.63 5.356 51 478.50 5.343 90 477.38 5.331 46 474.13 5.294 43 473.13 5.283 32 241.50 2.697 40 239.81 2.678 55 237.75 2.655 37 235.50 2.630 30 235.19 2.627 30 233.63 2.609 34 233.25 2.605 34 186.06 2.078 30 183.25 2.047 58 182.75 2.041 60 182.38 2.037 59 181.38 2.026 57 180.56 2.017 56 180.19 2.012 56 178.06 1.989 74 177.50 1.982 76 177.19 1.979 74 174.06 1.944 53 173.69 1.940 50 173.56 1.938 50 173.00 1.932 49 172.00 1.921 45 171.56 1.916 43 171.19 1.912 42 170.56 1.905 40 169.88 1.897 32 169.25 1.890 31 133.88 1.495 31 132.88 1.484 37 132.31 1.478 41 131.69 1.471 42 128.63 1.437 74 128.31 1.433 75 127.63 1.426 73 126.75 1.416 79 126.06 1.408 82 112.88 1.261 1000 100.63 1.124 116 89.44 0.999 41 88.75 0.991 42 84.25 0.941 79 83.81 0.936 79 83.06 0.928 75 81.94 0.915 72 81.56 0.911 73 78.81 0.880 168 74.88 0.837 49 74.06 0.827 50 72.50 0.810 54 72.06 0.805 50
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1H NMR 399.65 MHz C18 H37 N 0.04 ml : 0.5 ml CDCl3 cis-9-octadecenylamine Assign. Shift(ppm)
A 5.39 to 5.330 B 2.677 C 2.03 to 1.940 D 1.43 E 1.38 to 1.210 F 1.17 G 0.881 90MHZ : HSP-06-001
Hz ppm Int.2154.66 5.392 39 2154.30 5.391 38 2152.22 5.386 48 2151.00 5.383 62 2149.54 5.379 42 2147.46 5.374 46 2145.87 5.370 34 2142.82 5.362 80 2142.46 5.361 81 2141.48 5.359 80 2137.33 5.349 214 2133.30 5.338 72 2131.71 5.334 89 1076.90 2.695 108 1069.95 2.678 185 1062.99 2.660 109 813.48 2.036 74 812.99 2.035 73 812.38 2.033 72 807.25 2.020 172 801.51 2.006 159 794.68 1.989 92 790.65 1.979 44 787.23 1.970 58 784.55 1.964 50 783.81 1.962 49 782.96 1.960 49 782.59 1.959 50 585.69 1.466 31 578.25 1.447 81 576.66 1.443 76 575.93 1.442 76 571.90 1.432 118 567.50 1.420 80 564.94 1.414 96 559.69 1.401 46 557.98 1.397 49 554.93 1.389 34 553.10 1.384 34 552.49 1.383 34 552.12 1.382 35 551.76 1.381 35 551.03 1.379 37 550.42 1.378 38 516.72 1.293 811 515.01 1.289 851 506.23 1.267 843 501.95 1.256 1000 486.94 1.219 41 467.65 1.171 70 358.52 0.898 190 352.29 0.882 481 344.97 0.864 204
in CDCl3
liquid film
