Methyl arachidate(1120-28-1) 13C NMR
Product NameMethyl arachidate
CAS1120-28-1
Molecular FormulaC21H42O2
Molecular Weight326.56
InChIInChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
InChIKey QGBRLVONZXHAKJ-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCCCCCCCCCCCCC
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MassMS-NW-2250 methyl icosanoate C21H42O2 (Mass of molecular ion: 326)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.2 15.0 1.6 17.0 2.7 18.0 13.2 27.0 2.7 28.0 2.6 29.0 7.1 39.0 1.7 41.0 15.9 42.0 3.4 43.0 25.7 44.0 1.3 54.0 1.3 55.0 17.4 56.0 4.1 57.0 16.7 58.0 1.0 59.0 3.4 67.0 2.4 68.0 1.4 69.0 11.4 70.0 2.3 71.0 7.0 73.0 1.5 74.0 100.0 75.0 24.4 76.0 1.3 81.0 2.2 82.0 1.1 83.0 7.6 84.0 3.3 85.0 3.9 87.0 68.2 88.0 5.9 91.0 1.2 95.0 1.8 97.0 5.7 98.0 3.7 101.0 5.1 109.0 1.0 111.0 2.8 112.0 1.0 115.0 2.1 116.0 1.1 125.0 1.6 129.0 6.5 130.0 1.7 143.0 15.9 144.0 1.8 157.0 1.4 171.0 1.2 185.0 2.6 199.0 2.9 227.0 2.9 241.0 1.9 283.0 8.7 284.0 1.9 295.0 3.6 297.0 2.0 326.0 16.7 327.0 4.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H42 O2 0.050 g : 0.5 ml CDCl3 methyl icosanoate 
Assign. Shift(ppm)
A 3.664 B 2.301 C 1.62 D 1.28 to 1.320 E 1.26 F 0.880
Hz ppm Int.1464.60 3.665 663 927.00 2.320 74 919.56 2.301 112 911.87 2.282 82 653.81 1.636 24 646.61 1.618 34 639.16 1.600 24 512.94 1.284 179 501.71 1.256 1000 358.40 0.897 62 351.81 0.881 209 344.73 0.863 73
in CDCl3
CCl4 solution
KBr disc
nujol mull
