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(E)-4,8-Dimethyl-1,3,7-nonatrien-5-one
SpectraBase Compound ID HmPAfKXMEvB
InChI InChI=1S/C11H16O/c1-5-6-10(4)11(12)8-7-9(2)3/h5-7H,1,8H2,2-4H3/b10-6+
InChIKey MVACUMBJFIHSCQ-UXBLZVDNSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvWYJtgXROB
Name (E)-4,8-Dimethyl-1,3,7-nonatrien-5-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-5-6-10(4)11(12)8-7-9(2)3/h5-7H,1,8H2,2-4H3/b10-6+
InChIKey MVACUMBJFIHSCQ-UXBLZVDNSA-N
Instrument Name HP 6890/ MSD 5973 & HP 7890A/MSD 5975
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00145
Molecular Weight 164.248 g/mol
SMILES CC(=CCC(\C(=C\C=C)C)=O)C
SPLASH splash10-00kb-9000000000-a0edab6c7445a320cc23
Source of Spectrum JOC-86-5253-19
Thin-Layer Chromatography Rf = 0.59 (pentane/diethyl ether, 5:1)
Wiley ID 1870190