三异辛酸甘油酯(7360-38-5)核磁图(1HNMR)
InChI:InChI=1S/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3
InChIKey: DGSZGZSCHSQXFV-UHFFFAOYSA-N
Smiles:C(OC(=O)C(CC)CCCC)C(OC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC
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Assign. Shift(ppm)
A 5.296
B *1 4.361
C *1 4.139
D 2.282
E 1.69 to 1.400
F 1.39 to 1.170
G 0.92 to 0.860
J(B,C)=11.9HZ.
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
175.72 481 1
175.28 208 2
69.08 274 3
62.16 551 4
47.30 384 5
47.24 704 6
31.59 676 7
8
29.61 557 9
10
25.37 724 11
12
22.66 923 13
14
13.90 1000 15
16
11.80 802 17
18
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film