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(E)-4-methyloct-3-en-2-one
SpectraBase Compound ID B0mroLzT3wx
InChI InChI=1S/C9H16O/c1-4-5-6-8(2)7-9(3)10/h7H,4-6H2,1-3H3/b8-7+
InChIKey WLXMJHISVXETJY-BQYQJAHWSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPKoZYj0wZY
Name (E)-4-methyloct-3-en-2-one
Appearance Colourless oil
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 140.120115134 u
Formula C9H16O
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H16O/c1-4-5-6-8(2)7-9(3)10/h7H,4-6H2,1-3H3/b8-7+
InChIKey WLXMJHISVXETJY-BQYQJAHWSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 140.226 g/mol
Quality 165
SMILES CC(=O)\C=C\(CCCC)C
SPLASH splash10-001j-9300000000-e81dcc78d5e614329182
Source of Spectrum QE-27-SM53-31 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.45 (SiO2, cHex/EtOAc, 10:1)
Wiley ID 1902009