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3,6-Dimethyl-5-hepten-2-one
SpectraBase Compound ID GKorr1V5PDY
InChI InChI=1S/C9H16O/c1-7(2)5-6-8(3)9(4)10/h5,8H,6H2,1-4H3
InChIKey GFFWTYGLHZTFHM-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 AVQj8tz1nbR
Name 3,6-Dimethylhept-5-en-2-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7(2)5-6-8(3)9(4)10/h5,8H,6H2,1-4H3
InChIKey GFFWTYGLHZTFHM-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 140.226 g/mol
SMILES CC(C(CC=C(C)C)C)=O
SPLASH splash10-0006-9100000000-24de8751f20c72cb4a5a
Source of Spectrum QE-26-SM29-S2
Thin-Layer Chromatography Rf = 0.33 (pentane/Et2O, 10/1)
Wiley ID 1858527