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Ethyl 3-acyl-8-oxononanoate

View entire compound with spectra: 1 MS (GC)

Ethyl 3-acyl-8-oxononanoate
SpectraBase Compound ID HFLXwMMb5VA
InChI InChI=1S/C13H22O4/c1-4-17-13(16)9-7-5-6-8-12(10(2)14)11(3)15/h12H,4-9H2,1-3H3
InChIKey SDYKVAUCRXDLSU-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tOStSK3p0v
Name Ethyl 3-acyl-8-oxononanoate
Alternate Name(s) Ethyl 7-Acetyl-8-oxononanoate 7-Acetyl-8-oxononanoic acid ethyl ester Ethyl 7-acetyl-8-oxo-nonanoate Ethyl 7-ethanoyl-8-oxidanylidene-nonanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-17-13(16)9-7-5-6-8-12(10(2)14)11(3)15/h12H,4-9H2,1-3H3
InChIKey SDYKVAUCRXDLSU-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C(C(=O)C)(C(=O)C)CCCCCC(=O)OCC
SPLASH splash10-0ufr-2900000000-80c667925aa42d7329c6
Source of Spectrum SK-20-2079-4
Wiley ID 1733785