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(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID GVOQh94tj8u
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey PSQYTAPXSHCGMF-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 Gp79admdRgO
Name 4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-3-BUTEN-2-ONE;BETA-IONONE
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/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
Literature Reference Author R.GEBHARD,J.M.L.COURTIN,J.B.SHADID,J.VANHAVEREN,C.J.VANHAERI NGEN,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,108,207(1989)
Literature Reference DOI 10.1002/recl.19891080602
Molecular Weight 192.301 g/mol
Solvent CDCl3
Source File Reference UWED4305