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(2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one

View entire compound with spectra: 4 NMR, and 10 MS (GC)

(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 1rTKaUcjymF
Name alpha-damascone
Alternate Name(s) (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
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
SMILES C1C(C(C(=CC1)C)C(=O)\C=C\C)(C)C
SPLASH splash10-014i-9300000000-3cb242323e657d28d238
Source of Spectrum H-57-1302-8
Wiley ID 1797211