STEARIC ACID GLYCIDYL ESTER(7460-84-6) IR1
Product NameSTEARIC ACID GLYCIDYL ESTER
CAS7460-84-6
Molecular FormulaC21H40O3
Molecular Weight340.54
InChIInChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h20H,2-19H2,1H3
InChIKey OUQGOXCIUOCDNN-UHFFFAOYSA-N
SmilesC(OCC1CO1)(=O)CCCCCCCCCCCCCCCCC
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MassMS-IW-0843 2,3-epoxypropyl stearate C21H40O3 (Mass of molecular ion: 340)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
26.0 1.6 27.0 6.3 28.0 3.8 29.0 15.6 31.0 2.6 39.0 3.2 41.0 29.3 42.0 7.6 43.0 49.5 44.0 2.1 45.0 1.9 53.0 1.6 54.0 3.4 55.0 39.9 56.0 13.3 57.0 57.7 58.0 3.9 59.0 1.6 60.0 14.5 61.0 7.7 67.0 7.6 68.0 4.7 69.0 24.9 70.0 9.8 71.0 26.1 72.0 1.9 73.0 22.9 74.0 3.4 79.0 2.4 80.0 1.6 81.0 10.4 82.0 7.5 83.0 25.9 84.0 27.0 85.0 20.5 86.0 2.0 87.0 6.9 88.0 3.6 93.0 2.6 94.0 2.0 95.0 12.2 96.0 7.9 97.0 27.2 98.0 70.9 99.0 11.6 100.0 2.7 101.0 3.8 102.0 1.7 107.0 2.2 108.0 1.4 109.0 8.0 110.0 4.5 111.0 17.8 112.0 23.7 113.0 7.3 114.0 1.4 115.0 6.6 116.0 92.9 117.0 10.2 118.0 1.1 121.0 3.9 122.0 1.3 123.0 5.4 124.0 3.2 125.0 8.9 126.0 6.4 127.0 4.3 128.0 1.0 129.0 100.0 130.0 9.6 131.0 1.2 135.0 3.3 136.0 1.1 137.0 3.7 138.0 2.3 139.0 4.6 140.0 4.6 141.0 3.2 143.0 12.7 144.0 1.9 149.0 2.1 151.0 2.0 152.0 2.0 153.0 3.4 154.0 9.4 155.0 3.3 157.0 5.1 158.0 2.3 163.0 1.2 165.0 1.6 166.0 1.8 167.0 2.9 168.0 4.6 169.0 2.3 171.0 17.1 172.0 4.2 179.0 1.3 180.0 1.5 181.0 2.1 182.0 2.4 183.0 1.5 185.0 42.8 186.0 5.9 193.0 1.1 195.0 1.8 196.0 2.6 197.0 1.1 199.0 10.1 200.0 1.7 209.0 1.6 210.0 5.9 211.0 1.8 213.0 6.7 214.0 1.4 222.0 2.3 223.0 2.3 224.0 3.0 225.0 1.6 227.0 13.1 228.0 2.7 237.0 1.5 238.0 1.6 241.0 27.0 242.0 4.7 247.0 1.1 248.0 1.7 249.0 1.6 255.0 11.6 256.0 2.2 263.0 1.0 264.0 3.4 265.0 3.4 266.0 11.0 267.0 33.7 268.0 6.7 269.0 6.0 270.0 1.2 278.0 1.3 283.0 8.2 284.0 48.4 285.0 10.6 286.0 1.3 291.0 1.1 297.0 33.5 298.0 7.0 299.0 1.0 309.0 1.2 310.0 1.0 311.0 11.2 312.0 3.4 325.0 1.4 339.0 3.8 340.0 15.0 341.0 6.3 342.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H40 O3 0.039 g : 0.5 ml CDCl3 2,3-epoxypropyl stearate 
Assign. Shift(ppm)
A *1 4.413 B *1 3.917 C 3.207 D 2.844 E 2.647 F 2.349 G 1.634 J 1.29 K 1.26 L 0.879
Hz ppm Int.1771.73 4.434 44 1768.55 4.426 44 1759.40 4.403 50 1756.35 4.395 50 1574.46 3.940 46 1568.12 3.924 47 1562.13 3.909 41 1555.91 3.894 42 1141.24 2.856 55 1137.08 2.846 64 1136.35 2.844 68 1132.20 2.833 59 1061.52 2.657 55 1058.84 2.650 55 1056.64 2.644 50 1053.96 2.638 48 946.90 2.370 70 939.45 2.351 113 931.76 2.332 81 653.32 1.635 36 526.86 1.319 46 517.09 1.294 102 515.38 1.290 98 512.45 1.283 97 501.83 1.256 1000 358.52 0.898 62 351.81 0.881 199 344.73 0.863 77
in CDCl3
KBr disc
nujol mull
