AZELAIC ACID DI(2-ETHYLHEXYL) ESTER(103-24-2) 13C NMR
Product NameAZELAIC ACID DI(2-ETHYLHEXYL) ESTER
CAS103-24-2
Molecular FormulaC25H48O4
Molecular Weight412.65
InChIInChI=1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3
InChIKey ZDWGXBPVPXVXMQ-UHFFFAOYSA-N
SmilesC(OCC(CC)CCCC)(=O)CCCCCCCC(OCC(CC)CCCC)=O
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MassMS-KW-0560 bis(2-ethylhexyl) azelate C25H48O4 (Mass of molecular ion: 412)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 1.6 29.0 5.2 39.0 1.0 41.0 12.4 42.0 4.3 43.0 19.1 54.0 1.0 55.0 20.6 56.0 8.7 57.0 41.6 58.0 2.0 67.0 2.1 68.0 1.8 69.0 9.5 70.0 30.8 71.0 31.5 72.0 1.9 73.0 1.4 81.0 2.0 82.0 4.6 83.0 17.7 84.0 9.8 85.0 1.3 87.0 1.2 97.0 6.7 98.0 7.0 99.0 1.0 101.0 1.3 110.0 1.0 111.0 3.9 112.0 47.8 113.0 20.6 114.0 1.9 123.0 1.2 124.0 1.3 125.0 7.1 126.0 1.4 127.0 1.2 128.0 1.5 129.0 9.7 144.0 4.9 152.0 10.8 153.0 2.4 154.0 1.9 157.0 3.4 170.0 6.3 171.0 100.0 172.0 10.8 173.0 1.6 189.0 11.4 190.0 1.1 241.0 3.0 256.0 2.2 282.0 1.3 283.0 15.6 284.0 3.1 301.0 12.0 302.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C25H48O4 0.05 ml : 0.5 ml CDCl3 bis(2-ethylhexyl) azelate 
Assign. Shift(ppm)
A *1 3.994 B *1 3.975 C 2.295 D 1.620 E 1.566 F 1.36 G 1.32 J 0.895 K 0.891
Hz ppm Int.1607.18 4.021 44 1601.45 4.006 57 1596.32 3.993 340 1594.61 3.989 329 1590.58 3.979 331 1588.63 3.974 316 1583.62 3.962 48 1577.76 3.947 43 924.93 2.314 269 917.61 2.296 446 909.92 2.277 286 654.55 1.638 117 647.59 1.620 154 640.87 1.604 119 631.96 1.581 88 625.86 1.566 97 619.76 1.551 80 557.01 1.394 70 555.67 1.390 71 549.20 1.374 200 541.63 1.355 308 534.31 1.337 356 528.81 1.323 564 522.71 1.308 333 518.56 1.298 473 515.39 1.290 724 514.29 1.287 699 363.77 0.910 634 357.92 0.896 682 356.33 0.892 1000 350.84 0.878 277 348.76 0.873 451
in CDCl3
liquid film
