癸二酸二異辛酯(122-62-3)Raman光譜
InChI:InChI=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
Smiles:C(OCC(CC)CCCC)(=O)CCCCCCCCC(OCC(CC)CCCC)=O
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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 0.89
Spectral Code: 1H NMR : 400 MHz in CDCl3
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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 13
Spectral Code: 13C NMR : in CDCl3