TRANS-9-OCTADECENOL(506-42-3) IR2
Product NameTRANS-9-OCTADECENOL
CAS506-42-3
Molecular FormulaC18H36O
Molecular Weight268.48
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+
InChIKey ALSTYHKOOCGGFT-MDZDMXLPSA-N
SmilesC(O)CCCCCCC/C=C/CCCCCCCC
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MassMS-IW-4093 trans-9-octadecen-1-ol C18H36O (Mass of molecular ion: 268)
Source Temperature: 130 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 6.8 28.0 2.0 29.0 18.9 31.0 11.3 39.0 6.7 40.0 1.4 41.0 56.5 42.0 10.3 43.0 46.3 44.0 2.5 45.0 1.4 53.0 5.3 54.0 36.2 55.0 88.8 56.0 22.6 57.0 32.2 58.0 1.7 65.0 1.4 66.0 7.7 67.0 63.0 68.0 52.6 69.0 58.1 70.0 16.9 71.0 13.1 72.0 1.2 77.0 1.1 79.0 5.1 80.0 5.9 81.0 60.0 82.0 100.0 83.0 49.5 84.0 8.8 85.0 7.5 86.0 1.1 93.0 1.8 94.0 3.1 95.0 50.1 96.0 78.2 97.0 30.1 98.0 5.4 99.0 2.0 108.0 1.3 109.0 26.0 110.0 29.7 111.0 10.7 112.0 2.5 122.0 1.3 123.0 15.2 124.0 18.5 125.0 4.6 126.0 1.4 137.0 9.1 138.0 10.5 139.0 2.0 151.0 3.3 152.0 5.4 153.0 1.0 165.0 1.6 166.0 3.3 179.0 1.0 180.0 2.4 193.0 1.4 194.0 2.9 208.0 1.5 222.0 2.9 250.0 14.1 251.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H36 O 0.038 g : 0.5 ml CDCl3 trans-9-octadecen-1-ol 
Assign. Shift(ppm)
A 5.383 B 3.631 C 1.962 D 1.58 E 1.56 F 1.33 G 1.29 J 1.26 K 0.879
Hz ppm Int.2156.62 5.397 92 2154.91 5.392 136 2152.71 5.387 143 2151.37 5.384 280 2150.15 5.381 142 2147.83 5.375 133 2146.12 5.370 90 1458.01 3.649 272 1451.42 3.632 563 1444.70 3.615 291 793.46 1.986 97 787.48 1.971 223 782.47 1.958 209 776.12 1.942 111 775.27 1.940 109 631.35 1.580 132 624.15 1.562 133 616.70 1.544 114 609.99 1.527 45 525.39 1.315 361 524.29 1.312 362 515.50 1.290 545 512.94 1.284 502 505.13 1.264 1000 358.40 0.897 189 351.68 0.880 604 344.60 0.863 234
KBr disc
nujol mull
