n-Caprylic acid isopropyl ester(5458-59-3) 1H NMR
Product Namen-Caprylic acid isopropyl ester
CAS5458-59-3
Molecular FormulaC11H22O2
Molecular Weight186.29
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
InChIKey WCGIIHOFOFCKSM-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)CCCCCCC
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Assign. Shift(ppm)
A 5.00 B 2.24 C 1.60 D 1.28 E 1.227 F 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.35 365 1 67.29 569 2 34.79 563 3 31.78 558 4 29.18 614 5 * 29.04 599 6 * 25.15 548 7 22.68 574 8 21.90 1000 9 14.08 457 10Spectral 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