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(5R,6R)-2,6-Dimethyl-5-(1-methylethenyl)-6-[(E)-4-methyl-5-oxo-3-hexenyl]-2-cyclohexen-1-one
SpectraBase Compound ID CTUUn2d9hFL
InChI InChI=1S/C18H26O2/c1-12(2)16-10-9-14(4)17(20)18(16,6)11-7-8-13(3)15(5)19/h8-9,16H,1,7,10-11H2,2-6H3/b13-8+/t16-,18-/m1/s1
InChIKey PMRMNTPFMIVWLF-GGWNBIEVSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5AO0DnQCnco
Name (5R,6R)-2,6-DIMETHYL-5-(1-METHYLETHENYL)-6-[(E)-4-METHYL-5-OXO-3-HEXENYL]-2-CYCLOHEXEN-1-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-12(2)16-10-9-14(4)17(20)18(16,6)11-7-8-13(3)15(5)19/h8-9,16H,1,7,10-11H2,2-6H3/b13-8+/t16-,18-/m1/s1
InChIKey PMRMNTPFMIVWLF-GGWNBIEVSA-N
Literature Reference Author A.ABAD,C.AGULLO,M.ARNO,A.C.CUNAT,B.MESEGUER,R.J.ZARAGOZA
Literature Reference Citation J.ORG.CHEM.,63,5100(1998)
Literature Reference DOI 10.1021/jo980311g
Molecular Weight 274.403 g/mol
Sample ID 28531
Solvent CDCl3