Dioctyl sebacate(122-62-3) 1H NMR
Product NameDioctyl sebacate
CAS122-62-3
Molecular FormulaC26H50O4
Molecular Weight426.67
InChIInChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
InChIKey VJHINFRRDQUWOJ-UHFFFAOYSA-N
SmilesC(OCC(CC)CCCC)(=O)CCCCCCCCC(OCC(CC)CCCC)=O
-
Assign. Shift(ppm)
A *1 3.991 B *1 3.981 C 2.294 D 1.62 E 1.57 F 1.36 G 1.33 to 1.28 J 0.89Spectral Code: 1H NMR : 400 MHz in CDCl3
-
ppm Int. Assign.
173.85 360 1 66.70 633 2 38.97 614 3 34.44 565 4 30.58 595 5 * 29.16 1000 6 * 7 * 29.04 740 8 * 25.07 585 9 23.97 649 10 23.02 596 11 14.00 555 12 11.02 593 13Spectral Code: 13C NMR : in CDCl3
