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2-Hepten-6-one, 2,3-dimethyl-
SpectraBase Compound ID Gr6kfiCOwfE
InChI InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h5-6H2,1-4H3
InChIKey HASNVACCRLSDMU-UHFFFAOYSA-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 P0QmC5KOOw
Name 5,6-Dimethylhept-5-en-2-one
Appearance Colorless oil
Carrier Gas Helium (1.2 ml/min)
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Exact Mass 140.120115134 u
Formula C9H16O
GC Column HP5-MS UI (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h5-6H2,1-4H3
InChIKey HASNVACCRLSDMU-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Molecular Weight 140.226 g/mol
Quality 574
Reported Formula C9H16O1
SMILES CC(=C(CCC(C)=O)C)C
SPLASH splash10-0ac3-9500000000-d69d6c0c03a215c28648
Source of Spectrum QE-27-SM5-S8 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.35 (cyclohexane/ethyl acetate, 10:1)
Wiley ID 1904052