Stearic acid(57-11-4) MS
Product NameStearic acid
CAS57-11-4
Molecular FormulaC18H36O2
Molecular Weight284.48
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCCCCCCC
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MassMS-NW-6829 stearic acid C18H36O2 (Mass of molecular ion: 284)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.8 18.0 9.9 27.0 16.7 28.0 5.5 29.0 39.1 30.0 1.4 31.0 1.4 39.0 12.6 40.0 2.9 41.0 81.0 42.0 17.4 43.0 100.0 44.0 3.2 45.0 6.4 51.0 1.1 53.0 5.0 54.0 7.3 55.0 73.8 56.0 19.5 57.0 75.3 58.0 3.5 59.0 3.9 60.0 67.6 61.0 20.8 62.0 1.1 65.0 1.3 66.0 1.0 67.0 10.5 68.0 8.6 69.0 42.8 70.0 14.1 71.0 38.1 72.0 2.1 73.0 71.5 74.0 7.5 75.0 1.1 77.0 1.6 79.0 3.1 80.0 2.2 81.0 8.6 82.0 7.8 83.0 28.1 84.0 13.3 85.0 23.7 86.0 2.0 87.0 15.2 88.0 1.5 91.0 1.6 93.0 2.1 94.0 1.4 95.0 5.1 96.0 6.4 97.0 21.9 98.0 30.8 99.0 9.7 100.0 1.4 101.0 7.1 102.0 3.0 107.0 1.6 108.0 1.1 109.0 2.4 110.0 3.5 111.0 12.1 112.0 8.5 113.0 5.7 115.0 11.3 116.0 7.1 121.0 2.6 123.0 1.4 124.0 2.2 125.0 6.2 126.0 2.5 127.0 3.8 129.0 37.0 130.0 4.8 135.0 1.4 138.0 1.4 139.0 3.1 140.0 1.6 141.0 3.6 143.0 6.6 144.0 1.3 149.0 1.0 152.0 1.1 153.0 1.9 154.0 1.6 155.0 2.6 157.0 3.1 158.0 1.1 167.0 1.2 168.0 1.0 169.0 1.7 171.0 6.9 172.0 2.4 180.0 1.0 183.0 1.2 185.0 17.0 186.0 2.9 196.0 1.3 199.0 5.1 200.0 1.0 213.0 2.1 222.0 2.0 224.0 2.8 225.0 2.1 227.0 3.6 241.0 13.6 242.0 2.8 248.0 1.0 255.0 2.7 256.0 2.0 284.0 77.3 285.0 15.7 286.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C18 H36 O2 0.042 g : 0.5 ml CDCl3 stearic acid 
Assign. Shift(ppm)
A 11. B 2.35 C 1.64 D 1.26 E 0.88
Hz ppm Int.210.38 2.350 30 202.94 2.266 22 112.79 1.260 1000 83.57 0.934 25 78.78 0.880 55
in CDCl3
CCl4 solution
KBr disc
nujol mull
