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Methyl 5-formyljasmonate
SpectraBase Compound ID 1bMCb83fFhj
InChI InChI=1S/C14H20O4/c1-3-4-5-6-12-10(8-13(16)18-2)7-11(9-15)14(12)17/h4-5,9-12H,3,6-8H2,1-2H3/b5-4-/t10-,11?,12-/m1/s1
InChIKey JPKCQBFWTHQEDU-XQRHVSAQSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Pf0yif9fgB
Name Methyl 5-formyljasmonate
Alternate Name(s) Methyl {(1R,2R)-4-formyl-3-oxo-2-[(2Z)-2-pentenyl]cyclopentyl}acetate
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-3-4-5-6-12-10(8-13(16)18-2)7-11(9-15)14(12)17/h4-5,9-12H,3,6-8H2,1-2H3/b5-4-/t10-,11?,12-/m1/s1
InChIKey JPKCQBFWTHQEDU-XQRHVSAQSA-N
Molecular Weight 252.310 g/mol
SMILES C1(C(C[C@@]([C@]1(C\C=C/CC)[H])(CC(=O)OC)[H])C=O)=O
SPLASH splash10-0gy2-1940000000-97675e4d4788d3612604
Source of Spectrum F-53-8192-15
Wiley ID 802450