柠檬酸三正戊酯(70289-34-8)核磁图(1HNMR)
InChI:InChI=1S/C21H38O7/c1-4-7-10-13-26-18(22)16-21(25,20(24)28-15-12-9-6-3)17-19(23)27-14-11-8-5-2/h25H,4-17H2,1-3H3
InChIKey: DXRFOGXSSDRZFP-UHFFFAOYSA-N
Smiles:C(C(OCCCCC)=O)C(O)(C(OCCCCC)=O)CC(OCCCCC)=O
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Assign. Shift(ppm)
A 4.203
B 4.077
C 3.64
D *1 2.864
E *1 2.821
F 1.61
G 1.35
J 0.900
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.49 173 1
169.88 432 2
73.30 438 3
66.44 373 4
65.14 670 5
43.40 481 6
28.25 746 7 *
8 #
28.07 1000 9 *
10 #
22.35 751 11
12
13.95 600 13
14
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film