VINYL STEARATE(111-63-7) MS
Product NameVINYL STEARATE
CAS111-63-7
Molecular FormulaC20H38O2
Molecular Weight310.51
InChIInChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3
InChIKey AFSIMBWBBOJPJG-UHFFFAOYSA-N
SmilesC(OC=C)(=O)CCCCCCCCCCCCCCCCC
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MassMS-NW-1932 vinyl stearate C20H38O2 (Mass of molecular ion: 310)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.5 27.0 4.9 28.0 3.1 29.0 11.2 39.0 2.5 41.0 26.3 42.0 6.6 43.0 44.5 44.0 1.5 53.0 1.3 54.0 2.5 55.0 30.8 56.0 8.1 57.0 59.7 58.0 4.3 67.0 7.7 68.0 2.6 69.0 21.0 70.0 6.0 71.0 39.5 72.0 2.3 79.0 1.2 81.0 10.3 82.0 3.2 83.0 20.7 84.0 5.2 85.0 26.2 86.0 10.3 87.0 2.7 91.0 1.4 92.0 2.2 93.0 1.0 95.0 16.6 96.0 3.1 97.0 17.1 98.0 5.4 99.0 7.1 109.0 10.9 110.0 1.8 111.0 8.8 112.0 2.4 113.0 4.1 121.0 1.1 123.0 6.6 124.0 1.1 125.0 3.7 126.0 1.4 127.0 2.5 137.0 4.0 139.0 1.6 140.0 1.4 141.0 1.6 151.0 1.5 153.0 1.1 154.0 1.5 155.0 1.2 168.0 1.3 182.0 1.2 196.0 1.3 210.0 1.2 224.0 1.0 238.0 1.0 239.0 14.2 240.0 3.1 249.0 1.4 253.0 1.8 265.0 1.2 266.0 4.8 267.0 100.0 268.0 20.7 269.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C20 H38 O2 0.044 g : 0.5 ml CDCl3 vinyl stearate 
Assign. Shift(ppm)
A 7.282 B 4.868 C 4.550 D 2.37 E 1.65 F 1.26 G 0.88
Hz ppm Int.662.88 7.402 27 656.56 7.331 29 648.88 7.246 32 642.56 7.175 32 443.31 4.950 31 441.81 4.934 33 429.31 4.794 26 427.81 4.777 30 411.31 4.593 33 409.75 4.576 31 405.00 4.523 33 403.44 4.505 28 213.44 2.384 32 206.38 2.305 24 205.75 2.298 25 112.69 1.259 1000 78.81 0.880 53
in CDCl3
CCl4 solution
KBr disc
4880 A,200 M,powder
