OLEOYL CHLORIDE(112-77-6) MS
Product NameOLEOYL CHLORIDE
CAS112-77-6
Molecular FormulaC18H33ClO
Molecular Weight300.91
InChIInChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKey MLQBTMWHIOYKKC-KTKRTIGZSA-N
SmilesC(Cl)(=O)CCCCCCC/C=C\CCCCCCCC
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MassMS-IW-3637 oleoyl chloride C18H33ClO (Mass of molecular ion: 300)
Source Temperature: 120 °C Sample Temperature: 90 °C Direct, 75 eV
27.0 12.0 28.0 3.7 29.0 27.7 36.0 5.8 38.0 1.9 39.0 11.8 40.0 2.4 41.0 78.5 42.0 15.9 43.0 65.7 44.0 2.3 53.0 8.9 54.0 28.6 55.0 100.0 56.0 32.3 57.0 45.2 58.0 3.0 63.0 1.8 65.0 3.1 66.0 3.7 67.0 53.6 68.0 26.9 69.0 67.4 70.0 26.0 71.0 17.9 72.0 2.1 77.0 4.1 78.0 2.5 79.0 16.4 80.0 14.2 81.0 46.0 82.0 35.3 83.0 50.0 84.0 42.5 85.0 11.5 86.0 1.9 87.0 1.2 91.0 6.1 92.0 2.1 93.0 10.6 94.0 10.7 95.0 35.1 96.0 34.2 97.0 38.2 98.0 95.0 99.0 9.4 100.0 2.1 102.0 1.4 104.0 1.1 105.0 3.0 106.0 1.7 107.0 7.9 108.0 10.0 109.0 19.6 110.0 23.2 111.0 23.5 112.0 29.4 113.0 4.2 114.0 1.2 116.0 1.4 119.0 3.3 120.0 2.2 121.0 12.2 122.0 7.2 123.0 13.9 124.0 14.4 125.0 10.2 126.0 11.3 127.0 2.4 133.0 4.6 134.0 3.6 135.0 9.9 136.0 5.2 137.0 13.4 138.0 11.0 139.0 5.4 140.0 5.4 141.0 1.8 147.0 3.6 148.0 3.8 149.0 5.7 150.0 4.0 151.0 14.7 152.0 11.3 153.0 4.4 154.0 6.0 155.0 2.2 161.0 2.3 162.0 2.2 163.0 3.0 164.0 3.0 165.0 10.1 166.0 8.6 167.0 3.8 168.0 5.2 169.0 1.9 175.0 1.8 176.0 1.0 177.0 2.1 178.0 1.8 179.0 5.5 180.0 4.5 181.0 2.7 182.0 4.0 183.0 1.5 189.0 1.1 191.0 1.2 192.0 2.3 193.0 5.1 194.0 4.4 195.0 2.6 196.0 3.1 207.0 5.5 208.0 4.2 209.0 2.9 210.0 2.3 211.0 3.3 220.0 2.3 221.0 5.8 222.0 2.8 223.0 1.3 224.0 1.2 235.0 4.0 236.0 11.0 237.0 5.7 238.0 4.7 239.0 4.3 246.0 1.1 250.0 1.3 262.0 2.1 263.0 3.5 264.0 45.7 265.0 21.7 266.0 4.1 298.0 4.0 300.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H33 Cl O 0.05 ml : 0.5 ml CDCl3 oleoyl chloride 
Assign. Shift(ppm)
A 5.38 to 5.32 B 2.874 C 2.03 to 1.99 D 1.703 E 1.31 to 1.27 F 0.881
Hz ppm Int.2154.05 5.390 36 2148.19 5.376 54 2146.85 5.372 49 2143.07 5.363 86 2141.85 5.360 81 2141.11 5.358 71 2138.31 5.351 189 2137.21 5.348 229 2133.91 5.340 210 2132.81 5.337 199 2128.17 5.326 85 2123.05 5.313 40 1156.25 2.894 317 1148.93 2.875 584 1141.60 2.857 355 823.12 2.060 57 813.11 2.035 111 807.13 2.020 241 802.25 2.008 224 795.90 1.992 114 787.96 1.972 32 695.68 1.741 37 688.84 1.724 119 681.64 1.706 187 674.32 1.688 151 667.11 1.670 59 524.29 1.312 692 507.08 1.269 954 503.17 1.260 1000 362.92 0.909 52 359.01 0.899 240 356.20 0.892 225 352.29 0.882 712 349.61 0.875 144 348.02 0.871 123 345.21 0.864 290 341.43 0.855 59
in CDCl3
liquid film
