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Methyl [O(18)]-5-pent-2'-enyl)-4-oxocyclopentyl-1-acetate
SpectraBase Compound ID 3gFpq6LC5xM
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+/i14+2
InChIKey GEWDNTWNSAZUDX-DOUKHBCMSA-N
Mol Weight 226.3 g/mol
Molecular Formula C13H20O218O
Exact Mass 226.145489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sJG6a7lwBm
Name Methyl [O(18)]-5-pent-2'-enyl)-4-oxocyclopentyl-1-acetate
Alternate Name(s) Methyl[o(18)]-epi-jasmonate-opc-2 : o(18) ester
Comments Original formula: C13H20O2[18O]
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Formula C13H20O3
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+/i14+2
InChIKey GEWDNTWNSAZUDX-DOUKHBCMSA-N
Molecular Weight 226.300 g/mol
SMILES C1(C(C(=[18O])CC1)C\C=C\CC)CC(=O)OC
SPLASH splash10-00di-2190000000-b172298a54f0d40827ab
Source of Spectrum KC-1991-1987-51
Wiley ID 1225417