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2-Cyclohexen-1-one, 5-(1-hydroxy-1-methylethyl)-2-methyl-
SpectraBase Compound ID DeQy6II01FR
InChI InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3
InChIKey DJOOMNLGIUGRKD-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvGYN8kFSeO
Name Carvone hydrate
CAS Registry Number 7712-46-1
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 168.115029753 u
Formula C10H16O2
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/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3
InChIKey DJOOMNLGIUGRKD-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
Nominal Mass 168 u
Number of Peaks 65
SMILES OC(C1CC(C(=CC1)C)=O)(C)C
SPLASH splash10-0a4i-9200000000-f998116280e7ad28ada4
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA002173