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Heptanoic acid hexyl ester

Compound with spectra: 2 NMR, 2 FTIR, and 1 MS (GC)

Heptanoic acid hexyl ester
SpectraBase Compound ID CUbs2Zqxkym
InChI InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey IFOGOHVJHKKYCT-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample M. Dymicky, U.S. Dept. of Agriculture, Errc, Philadelphia, Pennsylvania
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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1H NMR Spectrum
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample M. Dymicky, USDA, Eastern Regional Research Center, Philadelphia, Pennsylvania
Technique CAPILLARY CELL: NEAT

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AJ-56-2031-0
  • Hexyl heptanoate
  • enanthic acid hexyl ester
Heptanoic acid, pentyl ester
n-Hexyl 6-hydroxycaproate
Pentadecanoic acid, hexyl ester
Heptanoic acid butyl ester
Sebacic acid, ethyl hexyl ester
Sebacic acid, heptyl hexyl ester
Hexanoic acid heptyl ester
Pimelic acid, heptyl pentyl ester
Octanoic acid, pentadecyl ester
Octanoic acid octadecyl ester
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