邻苯二甲酸二(3,5,5-三甲基己基)酯(14103-61-8)红外图谱(IR1)
InChI:InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
InChIKey: GDJOUZYAIHWDCA-UHFFFAOYSA-N
Smiles:C1(C(OCCC(C)CC(C)(C)C)=O)=CC=CC=C1C(OCCC(C)CC(C)(C)C)=O
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Assign. Shift(ppm)
A 7.69
B 7.53
C 4.33
D 1.94 to 1.40
E *1 1.24
F *1 1.09
G 0.99
J 0.90
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
167.47 376 1
132.49 418 2
130.78 499 3
128.78 569 4
64.21 581 5
51.16 604 6
37.79 468 7
31.05 343 8
30.00 1000 9
26.44 371 10
22.59 490 11
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film