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TRI-N-AMYL CITRATE(70289-34-8) 1H NMR
Product NameTRI-N-AMYL CITRATE
CAS70289-34-8
Molecular FormulaC21H38O7
Molecular Weight402.52
InChIInChI=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
SmilesC(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 0.900Spectral 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 14Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film