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2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
SpectraBase Compound ID 57F2QZP1bgX
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3
InChIKey JHJCHCSUEGPIGE-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DANY4Za6Q4M
Name Ionone
CAS Registry Number 31499-72-6
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 194.167065327 u
Formula C13H22O
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/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3
InChIKey JHJCHCSUEGPIGE-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
Nominal Mass 194 u
Number of Peaks 95
SMILES C(CC(C)=O)C1C(C)(C)CCC=C1C
SPLASH splash10-006x-9500000000-d8be0948f2fd220b5e14
Source ex J J BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001762