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Methyljasmonate, 1MEOX
SpectraBase Compound ID HYuzMvLJsct
InChI InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKey GEWDNTWNSAZUDX-SNAWJCMRSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaG49hYgB2p
Name Methyljasmonate, 1MEOX
Comments Non-derivatized structure shown; Derivatization type: 1 MEOX (mass: 253.168); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000293; Note: The molecular formula of the structure shown is C13H20O3 - which differs from the formula reported for the mass spectrum (C14H23NO3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO3
InChI InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKey GEWDNTWNSAZUDX-SNAWJCMRSA-N
Molecular Weight 224.300 g/mol
SMILES CC\C=C\CC1C(CCC1=O)CC(=O)OC
SPLASH splash10-0006-3900000000-434d5e31116da08f3650
Source of Spectrum FM-2019-293-0
Synonyms Methyl jasmonate, 1MEOX W341002_ALDRICH, 1MEOX 392707_ALDRICH, 1MEOX Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, 1MEOX 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid, methyl ester, 1MEOX Methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate, 1MEOX Methyl (E)-2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate
Wiley ID 1817981