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3-Methylnona-2,7-dien-5-yn-4-one
SpectraBase Compound ID I9G9KO0nkmN
InChI InChI=1S/C10H12O/c1-4-6-7-8-10(11)9(3)5-2/h4-6H,1-3H3
InChIKey PLHUFKKFZSVJPD-UHFFFAOYSA-N
Mol Weight 148.2 g/mol
Molecular Formula C10H12O
Exact Mass 148.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WMUmzsWzQ
Name 3-Methylnona-2,7-dien-5-yn-4-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O
InChI InChI=1S/C10H12O/c1-4-6-7-8-10(11)9(3)5-2/h4-6H,1-3H3
InChIKey PLHUFKKFZSVJPD-UHFFFAOYSA-N
Instrument Name Agilent HP 6890 or Waters Autospec Premier sprctrometer magnetic sector
Ionization Type EI
Literature Reference DOI 10.1002/anie.201908496
Molecular Weight 148.205 g/mol
Reported Formula C10H12O
SMILES CC(=CC)C(C#CC=CC)=O
SPLASH splash10-0a5c-6900000000-bd1528381b5f2bb31002
Source of Spectrum ACI-58-SM26-19
Thin-Layer Chromatography Rf = 0.27 (petroleum ether/Et2O, 10:90)
Wiley ID 1875557