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Methyl 2-hexyl-3-oxocyclopentanecarboxylate <trans->
SpectraBase Compound ID CEp6Wrn839c
InChI InChI=1S/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKey IPWBXORAIBJDDQ-WDEREUQCSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol
Enantiomer InChIKey IPWBXORAIBJDDQ-MNOVXSKESA-N
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
  • Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, methyl ester, (1R,2S)-rel-

This compound is available in the following databases:

Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition

Author: Luigi Mondello

FFNSC provides in-depth coverage of monoterpene and sesquiterpene hydrocarbons, their oxygenated derivatives, and aliphatic oxygenated compounds, essential components in flavor and fragrance research. Learn more.

Food, Flavors, Fragrances, and Related Compounds: GC-MS Library

Author: Wiley

With Wiley's Food, Flavors, Fragrances, and Related Compounds GC-MS Library, get access to GC-MS spectra with focused compound coverage including essential oils, lipids, volatile organic compounds, terpenes, herbicides, insecticides, and other compounds of importance for food, flavor, fragrance, and cannabis applications. Learn more.

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