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(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

View entire compound with spectra: 32 NMR, 12 FTIR, 2 Raman, 39 MS (GC), and 2 Near IR

(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID 4yPnJHEWQos
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MHcWJtaYfR
Name (1R,E)-4-(2',6',6'-TRIMETHYLCYClOHEX-2'-ENYL)-BUT-3-EN-2-ONE;(+)-(6R)-ALPHA-IONONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N
Literature Reference Author H.PFANDER,P.A.SEMADENI
Literature Reference Citation AUSTR.J.CHEM.,48,145(1995)
Literature Reference DOI 10.1071/ch9950145
Molecular Weight 192.301 g/mol
Solvent CDCl3
Source File Reference UWMZ2