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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 3B6q02JtyK
Name Artemisia ketone
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
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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
Nominal Mass 152 u
Number of Peaks 87
SMILES C(C(C=C)(C)C)(C=C(C)C)=O
SPLASH splash10-001i-9000000000-d63c4966828d39082c64
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001437