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2-[(E)-7-ketooct-4-enyl]malonic acid diethyl ester
SpectraBase Compound ID 6aLYfKRuTO8
InChI InChI=1S/C15H24O5/c1-4-19-14(17)13(15(18)20-5-2)11-9-7-6-8-10-12(3)16/h6,8,13H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKey NJVKKEHXHBLFCS-SOFGYWHQSA-N
Mol Weight 284.35 g/mol
Molecular Formula C15H24O5
Exact Mass 284.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nf0ZQRs7md
Name 2-[(E)-7-ketooct-4-enyl]malonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O5
InChI InChI=1S/C15H24O5/c1-4-19-14(17)13(15(18)20-5-2)11-9-7-6-8-10-12(3)16/h6,8,13H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKey NJVKKEHXHBLFCS-SOFGYWHQSA-N
Molecular Weight 284.352 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCC\C=C\CC(=O)C
SPLASH splash10-006x-8910000000-f5bd371d13810b855581
Source of Spectrum K1-2002-728-19
Synonyms 2-[(E)-7-oxooct-4-enyl]propanedioic acid diethyl ester Diethyl 2-[(E)-7-oxidanylideneoct-4-enyl]propanedioate Diethyl 2-[(E)-7-oxooct-4-enyl]propanedioate
Wiley ID 872018