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(2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
SpectraBase Compound ID BfulX4F8ox1
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChIKey CRIGTVCBMUKRSL-FNORWQNLSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RxRwAYd5pq
Name Damascone<(E)-alpha->
CAS Registry Number 57549-92-5
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 192.151415263 u
Formula C13H20O
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/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChIKey CRIGTVCBMUKRSL-FNORWQNLSA-N
Molecular Weight 192.302 g/mol
Nominal Mass 192 u
Number of Peaks 107
SMILES C1CC=C(C(C1(C)C)C(\C=C\C)=O)C
SPLASH splash10-014i-9100000000-bc77c569d22972fbbb12
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000447