Product NameETHYL STEARATE
CAS111-61-5
Molecular FormulaC20H40O2
Molecular Weight312.53
InChIInChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChIKey MVLVMROFTAUDAG-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCCCCCCCCCCCCC
Mass
MS-NW-3781 ethyl stearate C20H40O2 (Mass of molecular ion: 312)
Source Temperature: 190 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 3.4 28.0 1.3 29.0 12.6 39.0 1.7 41.0 14.8 42.0 3.4 43.0 22.6 45.0 3.0 54.0 1.2 55.0 13.6 56.0 3.3 57.0 14.2 60.0 5.1 61.0 6.7 67.0 2.0 68.0 1.0 69.0 8.4 70.0 6.9 71.0 6.0 73.0 8.0 74.0 1.0 81.0 1.8 83.0 5.6 84.0 2.6 85.0 3.2 87.0 1.3 88.0 100.0 89.0 22.2 90.0 1.2 95.0 1.6 97.0 4.3 98.0 2.6 101.0 45.5 102.0 4.0 111.0 2.1 115.0 4.6 125.0 1.1 129.0 1.9 130.0 1.1 143.0 4.9 144.0 1.5 157.0 13.2 158.0 1.6 171.0 1.3 185.0 1.2 199.0 2.1 213.0 3.2 227.0 1.4 239.0 1.4 241.0 1.9 255.0 1.2 267.0 4.7 269.0 4.5 270.0 1.0 283.0 1.1 284.0 6.5 285.0 1.3 298.0 1.2 312.0 24.2 313.0 5.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C20 H40 O2 | 0.04 ml : 0.5 ml CDCl3 |
ethyl stearate |
Assign. Shift(ppm) |
Hz ppm Int.
372.75 4.163 65 365.63 4.083 69 358.50 4.003 22 204.81 2.287 29 197.13 2.202 26 119.00 1.329 114 112.69 1.259 1000 104.75 1.170 85 78.81 0.880 53
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
ETHYL STEARATE(111-61-5) IR1 Atlas of Related Products
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