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1,5-Heptadien-4-one, 3,3,6-trimethyl-
SpectraBase Compound ID D89oUl1I7rJ
InChI InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
InChIKey OTYVBQZXUNBRTK-UHFFFAOYSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HetGDkToLNE
Name Artemisia ketone
Source of Sample SAFC Cat.no. W227307
CAS Registry Number 546-49-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 152.120115134 u
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
InChIKey OTYVBQZXUNBRTK-UHFFFAOYSA-N
Molecular Weight 152.237 g/mol
Number of Peaks 50
RI1 1056
RI2 729
SMILES C=CC(C(C=C(C)C)=O)(C)C
SPLASH splash10-001i-9000000000-7bf992467184506421ac
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,5-Heptadien-4-one, 3,3,6-trimethyl-
Wiley ID LM_FFNSC3_1118