1,2-環(huán)己烷二甲酸雙(2-乙基己基)酯(84-71-9)Raman光譜
InChI:InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3
InChIKey: DIMOQAGSNHTROK-UHFFFAOYSA-N
Smiles:C1(C(OCC(CC)CCCC)=O)CCCCC1C(OCC(CC)CCCC)=O
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Assign. Shift(ppm)
A 3.99
B 2.82
C 2.02
D 1.79
E 1.54
F 1.49
G 1.41
J 1.35
K 1.30
L 1.28
M 0.892
N 0.882
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
173.76 425 1
66.74 597 2
42.81 586 3
38.90 640 4
30.55 570 5 *
29.04 602 6 *
26.50 468 7
23.95 1000 8
9 #
23.05 645 10 #
14.06 591 11
11.02 586 12
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid