Lauroyl chloride(112-16-3) MS
Product NameLauroyl chloride
CAS112-16-3
Molecular FormulaC12H23ClO
Molecular Weight218.76
InChIInChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
InChIKey NQGIJDNPUZEBRU-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCCCCCCCC
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MassMS-IW-3776 lauroyl chloride C12H23ClO (Mass of molecular ion: 218)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 12.9 28.0 2.8 29.0 18.7 36.0 4.8 38.0 1.5 39.0 10.1 40.0 2.1 41.0 43.2 42.0 12.9 43.0 50.0 44.0 1.8 53.0 3.7 54.0 7.3 55.0 64.2 56.0 16.9 57.0 30.0 58.0 1.9 63.0 1.2 67.0 8.3 68.0 8.8 69.0 23.7 70.0 16.8 71.0 10.9 72.0 1.1 77.0 1.0 78.0 2.6 79.0 3.2 80.0 2.5 81.0 7.1 82.0 8.1 83.0 22.1 84.0 55.9 85.0 8.5 86.0 1.1 91.0 2.9 93.0 2.5 94.0 2.4 95.0 5.3 96.0 7.2 97.0 21.4 98.0 100.0 99.0 7.6 100.0 1.1 102.0 3.1 104.0 1.0 107.0 1.4 108.0 1.2 109.0 2.9 110.0 4.4 111.0 14.9 112.0 23.7 113.0 2.0 116.0 2.7 121.0 3.0 122.0 1.0 125.0 3.5 126.0 3.8 135.0 1.7 138.0 10.6 139.0 2.9 140.0 1.7 164.0 2.4 182.0 1.5 183.0 14.0 184.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H23 Cl O 0.05 ml : 0.5 ml CDCl3 lauroyl chloride 
Assign. Shift(ppm)
A 2.876 B 1.703 C 1.37 to 1.28 D 1.26 E 0.880
Hz ppm Int.1156.98 2.895 273 1149.66 2.877 455 1142.33 2.859 302 696.17 1.742 35 688.96 1.724 106 681.52 1.706 155 674.07 1.687 128 666.87 1.669 55 544.92 1.364 67 543.46 1.360 66 535.03 1.339 109 520.26 1.302 224 505.25 1.265 1000 358.89 0.899 195 352.17 0.882 570 345.09 0.864 245
in CDCl3
liquid film
