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[2,(5-CH3)-(13)C2]-5,6-DIMETHYL-8-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-3,5,7-OCTATRIEN-2-ONE
SpectraBase Compound ID AQFixWxZCSm
InChI InChI=1S/C19H28O/c1-14(9-11-17(4)20)15(2)10-12-18-16(3)8-7-13-19(18,5)6/h9-12H,7-8,13H2,1-6H3/b11-9+,12-10+,15-14+/i1+1,17+1
InChIKey RLQJJHIZYBJCQQ-QMYKVGOVSA-N
Mol Weight 274.42 g/mol
Molecular Formula C1713C2H28O
Exact Mass 274.220725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kt7JbFz3cte
Name [2,(5-CH3)-(13)C2]-5,6-DIMETHYL-8-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-3,5,7-OCTATRIEN-2-ONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1713C2H28O
InChI InChI=1S/C19H28O/c1-14(9-11-17(4)20)15(2)10-12-18-16(3)8-7-13-19(18,5)6/h9-12H,7-8,13H2,1-6H3/b11-9+,12-10+,15-14+/i1+1,17+1
InChIKey RLQJJHIZYBJCQQ-QMYKVGOVSA-N
Literature Reference Author P.J.E.VERDEGEM,M.C.F.MONNEE,J.LUGTENBURG
Literature Reference Citation J.ORG.CHEM.,66,1269(2001)
Literature Reference DOI 10.1021/jo0009595
Molecular Weight 274.415 g/mol
Solvent CDCl3
Source File Reference UWLU26131