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Hexanoic acid, 6-oxo-, methyl ester
SpectraBase Compound ID LmAyGf1nGLy
InChI InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3
InChIKey FDNFXHCDOASWAY-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YiKNALmmqo
Name Methyl 6-oxohexanoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3
InChIKey FDNFXHCDOASWAY-UHFFFAOYSA-N
Ionization Type EI positive ion
Molecular Weight 144.170 g/mol
SMILES C(OC)(CCCCC=O)=O
SPLASH splash10-0a4i-9000000000-11e7494e89e15b55bfc4
Source of Spectrum US20130203829A1
Thin-Layer Chromatography Rf = 0.5 (20% ethyl acetate in hexanes, iodine and KMnO4 stain)
Wiley ID 1847738