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2-Decenoic acid, 5,5-dimethyl-4,9-dioxo-, methyl ester, (E)-
SpectraBase Compound ID I0oTtuWUTra
InChI InChI=1S/C13H20O4/c1-10(14)6-5-9-13(2,3)11(15)7-8-12(16)17-4/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey NXIDWAWRHMRHIK-BQYQJAHWSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B13GmiToTBY
Name 2-Decenoic acid, 5,5-dimethyl-4,9-dioxo-, methyl ester, (E)-
Alternate Name(s) (E)-5,5-Dimethyl-4,9-dioxo-2-decanoic acid methyl ester Methyl (2E)-5,5-dimethyl-4,9-dioxo-2-decenoate
CAS Registry Number 70412-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-10(14)6-5-9-13(2,3)11(15)7-8-12(16)17-4/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey NXIDWAWRHMRHIK-BQYQJAHWSA-N
Molecular Weight 240.299 g/mol
SMILES C(\C=C\C(=O)OC)(C(CCCC(=O)C)(C)C)=O
SPLASH splash10-0cdl-9700000000-c91d2333941bbcc58d17
Source of Spectrum H-62-571-0
Wiley ID 1242821