N-CAPRIC ACID N-AMYL ESTER(5933-87-9) 13C NMR
Product NameN-CAPRIC ACID N-AMYL ESTER
CAS5933-87-9
Molecular FormulaC15H30O2
Molecular Weight242.4
InChIInChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
InChIKey BGYFCELTJPRWBA-UHFFFAOYSA-N
SmilesC(OCCCCC)(=O)CCCCCCCCC
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Assign. Shift(ppm)
A 4.051 B 2.28 C 1.62 D 1.27 E 0.91 F 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.94 434 1 64.40 561 2 34.47 556 3 31.95 490 4 29.51 657 5 * 29.34 1000 6 * 7 * 29.25 611 8 * 28.47 561 9 # 28.20 566 10 # 25.12 505 11 22.74 525 12 *1 22.39 485 13 *1 14.12 545 14 #1 13.99 404 15 #1Spectral 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
