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Methyl 2-acetyl-6-oxoheptanoate
SpectraBase Compound ID JzfvGTlTmxL
InChI InChI=1S/C10H16O4/c1-7(11)5-4-6-9(8(2)12)10(13)14-3/h9H,4-6H2,1-3H3
InChIKey XJMYZMQHGWLNBW-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxiCipnTsx7
Name Methyl 2-acetyl-6-oxoheptanoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-7(11)5-4-6-9(8(2)12)10(13)14-3/h9H,4-6H2,1-3H3
InChIKey XJMYZMQHGWLNBW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201901602
Molecular Weight 200.234 g/mol
Reported Formula C10H16O4
SMILES CC(=O)C(CCCC(C)=O)C(OC)=O
SPLASH splash10-001i-9100000000-685c342e82825c47741e
Source of Spectrum CCC-11-SM7-2e
Thin-Layer Chromatography Rf = 0.14 (c-Hex/EtOAc, 3:1)
Wiley ID 1836962