ARACHIDIC ANHYDRIDE(55726-22-2) IR2
Product NameARACHIDIC ANHYDRIDE
CAS55726-22-2
Molecular FormulaC40H78O3
Molecular Weight607.05
InChIInChI=1S/C40H78O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41)43-40(42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChIKey AUONNNVJUCSETH-UHFFFAOYSA-N
SmilesC(=O)(CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
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MassMS-IW-4189 icosanoic anhydride C40H78O3 (Mass of molecular ion: 606)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 4.6 27.0 2.2 28.0 1.1 29.0 5.8 39.0 1.4 41.0 15.1 42.0 3.2 43.0 27.9 44.0 1.0 54.0 2.8 55.0 26.7 56.0 7.5 57.0 28.5 58.0 1.6 60.0 13.4 61.0 5.8 67.0 5.0 68.0 5.2 69.0 16.1 70.0 8.6 71.0 17.1 72.0 1.2 73.0 18.0 74.0 2.0 79.0 1.4 80.0 1.2 81.0 5.2 82.0 6.0 83.0 21.0 84.0 20.6 85.0 11.5 86.0 1.0 87.0 5.9 93.0 1.4 94.0 1.4 95.0 3.9 96.0 5.3 97.0 18.9 98.0 100.0 99.0 10.2 100.0 1.0 101.0 2.5 102.0 1.3 109.0 2.2 110.0 2.4 111.0 15.8 112.0 24.7 113.0 4.2 115.0 4.2 116.0 2.8 121.0 1.6 123.0 1.3 124.0 1.6 125.0 5.5 126.0 2.7 127.0 1.9 129.0 11.8 130.0 1.9 135.0 1.2 138.0 1.1 139.0 2.3 140.0 1.2 141.0 1.4 143.0 2.5 144.0 1.1 153.0 1.3 154.0 1.0 155.0 1.1 157.0 3.2 158.0 1.2 171.0 4.1 172.0 1.2 185.0 5.1 186.0 1.0 199.0 2.2 213.0 4.8 214.0 1.0 227.0 3.5 241.0 2.5 250.0 1.1 255.0 1.7 269.0 6.2 270.0 1.2 283.0 1.4 294.0 1.9 295.0 3.5 312.0 29.5 313.0 6.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C40 H78 O3 0.030 g : 0.5 ml CDCl3 icosanoic anhydride 
Assign. Shift(ppm)
A 2.436 B 1.654 C 1.30 D 1.26 E 0.879
Hz ppm Int.981.45 2.456 49 974.00 2.438 88 966.55 2.419 55 661.87 1.657 32 525.02 1.314 42 524.78 1.314 42 524.54 1.313 42 520.26 1.302 52 513.06 1.284 83 502.56 1.258 1000 358.52 0.898 44 351.93 0.881 136 344.85 0.863 54
in CDCl3
KBr disc
nujol mull
