CIS,CIS-9,12-OCTADECADIENOL(506-43-4) MS
Product NameCIS,CIS-9,12-OCTADECADIENOL
CAS506-43-4
Molecular FormulaC18H34O
Molecular Weight266.46
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-
InChIKey JXNPEDYJTDQORS-HZJYTTRNSA-N
SmilesC(O)CCCCCCC/C=C\C/C=C\CCCCC
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MassMS-IW-4198 cis,cis-9,12-octadecadien-1-ol C18H34O (Mass of molecular ion: 266)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.6 27.0 3.5 28.0 4.4 29.0 8.8 31.0 3.6 32.0 1.4 39.0 4.6 41.0 29.9 42.0 3.7 43.0 21.3 44.0 1.3 53.0 5.0 54.0 39.3 55.0 50.2 56.0 6.4 57.0 11.4 58.0 5.4 59.0 2.5 65.0 3.3 66.0 8.5 67.0 100.0 68.0 54.6 69.0 31.9 70.0 6.2 71.0 8.7 72.0 1.2 77.0 5.6 78.0 3.8 79.0 33.5 80.0 30.1 81.0 95.4 82.0 77.2 83.0 22.8 84.0 6.2 85.0 6.1 86.0 1.3 91.0 5.9 92.0 1.8 93.0 23.1 94.0 16.9 95.0 67.8 96.0 59.3 97.0 17.9 98.0 14.1 99.0 2.6 105.0 1.6 107.0 13.4 108.0 9.7 109.0 29.3 110.0 29.5 111.0 9.1 112.0 4.5 121.0 21.4 122.0 7.8 123.0 12.1 124.0 14.4 125.0 3.5 126.0 1.6 135.0 13.2 136.0 6.4 137.0 6.2 138.0 7.5 139.0 1.8 140.0 1.1 149.0 5.5 150.0 3.2 151.0 2.8 152.0 4.5 153.0 1.2 163.0 2.4 164.0 1.3 165.0 1.5 166.0 3.0 177.0 1.2 180.0 1.1 248.0 2.2 266.0 5.8 267.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H34 O 0.05 ml : 0.5 ml CDCl3 cis,cis-9,12-octadecadien-1-ol 
Assign. Shift(ppm)
A 5.36 B 3.619 C 2.773 D 2.050 E 1.95 F 1.558 G 1.26 J 0.891
Hz ppm Int.2151.37 5.384 117 2146.61 5.372 213 2146.00 5.370 205 2144.41 5.366 239 2140.75 5.357 353 2138.67 5.352 167 2135.25 5.343 333 2128.54 5.327 136 2127.56 5.324 125 1453.25 3.637 327 1446.53 3.620 643 1439.82 3.603 342 1115.23 2.791 147 1108.52 2.774 308 1102.17 2.758 178 829.83 2.077 164 823.12 2.060 436 816.16 2.043 455 809.45 2.026 186 780.27 1.953 71 629.76 1.576 121 622.80 1.559 184 615.60 1.541 155 548.71 1.373 221 542.60 1.358 372 541.50 1.355 353 535.16 1.340 458 523.68 1.311 984 520.87 1.304 1000 514.16 1.287 384 511.35 1.280 252 507.81 1.271 135 363.04 0.909 293 356.20 0.892 715 349.24 0.874 321
in CDCl3
liquid film
