STEAROYL CHLORIDE(112-76-5) 13C NMR
Product NameSTEAROYL CHLORIDE
CAS112-76-5
Molecular FormulaC18H35ClO
Molecular Weight302.92
InChIInChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
InChIKey WTBAHSZERDXKKZ-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCCCCCCCCCCCCCC
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MassMS-NW-8474 stearoyl chloride C18H35ClO (Mass of molecular ion: 302)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.2 27.0 5.8 28.0 2.2 29.0 16.2 36.0 7.1 38.0 2.3 39.0 3.9 41.0 37.1 42.0 8.7 43.0 58.1 44.0 2.0 53.0 2.1 54.0 4.8 55.0 47.0 56.0 14.7 57.0 43.9 58.0 4.9 59.0 1.7 67.0 8.2 68.0 8.3 69.0 27.8 70.0 13.1 71.0 21.1 72.0 3.3 78.0 1.2 79.0 2.3 80.0 3.1 81.0 8.3 82.0 10.8 83.0 24.5 84.0 35.4 85.0 12.7 86.0 3.7 91.0 1.2 93.0 2.5 94.0 3.2 95.0 7.9 96.0 10.2 97.0 22.0 98.0 100.0 99.0 10.2 100.0 3.4 102.0 1.1 107.0 1.8 108.0 2.6 109.0 4.5 110.0 4.7 111.0 18.6 112.0 27.6 113.0 6.0 114.0 3.1 116.0 1.1 121.0 4.7 122.0 2.5 123.0 2.6 124.0 3.2 125.0 8.9 126.0 7.1 127.0 3.5 128.0 2.3 135.0 3.4 136.0 2.0 137.0 1.5 138.0 2.7 139.0 4.2 140.0 5.2 141.0 2.3 142.0 1.6 149.0 2.1 150.0 1.2 152.0 2.4 153.0 3.6 154.0 8.3 155.0 2.0 156.0 1.0 163.0 1.2 166.0 2.0 167.0 3.6 168.0 10.1 169.0 1.8 170.0 1.2 180.0 1.2 181.0 3.6 182.0 12.5 183.0 2.1 195.0 3.5 196.0 13.9 197.0 2.3 209.0 2.8 210.0 11.2 211.0 2.1 222.0 1.7 223.0 3.0 224.0 6.7 225.0 1.2 237.0 1.5 248.0 3.4 266.0 16.1 267.0 15.6 268.0 2.9
in CDCl3
liquid film
