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[4-(13)C]-N-METHOXY-N,4,5-TRIMETHYL-7-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6-HEPTATRIENAMIDE

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[4-(13)C]-N-METHOXY-N,4,5-TRIMETHYL-7-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6-HEPTATRIENAMIDE
SpectraBase Compound ID IXqrhjys5QY
InChI InChI=1S/C20H31NO2/c1-15(16(2)11-13-19(22)21(6)23-7)10-12-18-17(3)9-8-14-20(18,4)5/h10-13H,8-9,14H2,1-7H3/b12-10+,13-11+,16-15+/i16+1
InChIKey BQCPCPQZNUTHLJ-NYBHPGSISA-N
Mol Weight 318.47 g/mol
Molecular Formula C1913CH31NO2
Exact Mass 318.238834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pcWcrTDTDB
Name [4-(13)C]-N-METHOXY-N,4,5-TRIMETHYL-7-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6-HEPTATRIENAMIDE
Compound Number 33A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1913CH31NO2
InChI InChI=1S/C20H31NO2/c1-15(16(2)11-13-19(22)21(6)23-7)10-12-18-17(3)9-8-14-20(18,4)5/h10-13H,8-9,14H2,1-7H3/b12-10+,13-11+,16-15+/i16+1
InChIKey BQCPCPQZNUTHLJ-NYBHPGSISA-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 318.464 g/mol
Solvent CDCl3
Source File Reference UWLU26129