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Methyl jasmonate

View entire compound with spectra: 4 NMR, 1 FTIR, and 3 MS (GC)

Methyl jasmonate
SpectraBase Compound ID 7f7DvhEaYw1
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-/t10-,11-/m1/s1
InChIKey GEWDNTWNSAZUDX-WQMVXFAESA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FEsmkw3whB7
Name Methyl jasmonate
Acquisition Mode SIMULTANEOUS
Comments Saturated methyl jasmonate - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C13 H20 O3
IUPAC Name methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate 2-(3-keto-2-pent-2-enyl-cyclopentyl)acetic acid methyl ester methyl 2-(3-oxo-2-pent-2-enyl-cyclopentyl)acetate; 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid methyl ester; methyl 2-(3-oxo-2-pent-2-enyl-cyclopentyl)ethanoate
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-/t10-,11-/m1/s1
InChIKey GEWDNTWNSAZUDX-WQMVXFAESA-N
PubChem Compound ID 62388
SMILES CCC=CCC1C(CCC1=O)CC(=O)OC
Source File Reference bmse000551