Lauric acid isobutyl ester(37811-72-6) IR1
Product NameLauric acid isobutyl ester
CAS37811-72-6
Molecular FormulaC16H32O2
Molecular Weight256.42
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3
InChIKey SZFOMJOELAAHAF-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)CCCCCCCCCCC
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Assign. Shift(ppm)
A 3.851 B 2.30 C 1.92 D 1.62 E 1.26 F 0.932 G 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.81 328 1 70.35 481 2 34.43 525 3 32.01 448 4 29.67 984 5 * 6 * 29.57 825 7 * 8 * 29.39 1000 9 * 10 * 27.85 497 11 25.13 459 12 22.76 448 13 19.14 738 14 14.12 399 15Spectral 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