Palmitic acid n-butyl ester(111-06-8) Raman
Product NamePalmitic acid n-butyl ester
CAS111-06-8
Molecular FormulaC20H40O2
Molecular Weight312.53
InChIInChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey GLYJVQDYLFAUFC-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CCCCCCCCCCCCCCC
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Assign. Shift(ppm)
A 4.06 B 2.28 C 1.61 D 1.41 E 1.26 F 0.94 G 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.90 220 1 64.07 215 2 34.44 220 3 32.01 260 4 30.83 235 5 29.75 1000 6 * 29.54 310 7 * 29.45 370 8 * 29.36 335 9 * 29.25 310 10 * 25.10 235 11 22.76 260 12 19.23 235 13 14.12 200 14 13.72 220 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
