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Methyl 2,6-dimethyl-5-oxoheptanoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Methyl 2,6-dimethyl-5-oxoheptanoate
SpectraBase Compound ID E5MUHpE8n9u
InChI InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3
InChIKey UDVSCIOUANKHJU-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEdUnrNfFMJ
Name Methyl 2,6-dimethyl-5-oxoheptanoate
Classification Fatty acid esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3
InChIKey UDVSCIOUANKHJU-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
Number of Peaks 17
SMILES C(C(CCC(C(C)C)=O)C)(=O)OC
SPLASH splash10-06dl-6900000000-b431b56a51f702c234bc
Source of Spectrum FF-13-307-M14 (DOI: 10.1002_(SICI)1099-1026(1998090)13_5_295)
Synonyms 2,6-Dimethyl-5-oxoheptanoic acid methyl ester Methyl 2,6-dimethyl-5-oxo-heptanoate Methyl 2,6-dimethyl-5-oxidanylidene-heptanoate
Wiley ID 1775212