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3,7-DIMETHYL-6-THIOMETHYL-9-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6,8-NONATETRAENENITRILE
SpectraBase Compound ID JgO1W4pf51g
InChI InChI=1S/C21H29NS/c1-16(13-15-22)9-12-20(23-6)18(3)10-11-19-17(2)8-7-14-21(19,4)5/h9-13H,7-8,14H2,1-6H3/b11-10+,12-9+,16-13+,20-18-
InChIKey AQJMZCWUACZHFB-YPEFRAJESA-N
Mol Weight 327.53 g/mol
Molecular Formula C21H29NS
Exact Mass 327.202071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XBwUCVIbr8
Name 3,7-DIMETHYL-6-THIOMETHYL-9-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6,8-NONATETRAENENITRILE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29NS
InChI InChI=1S/C21H29NS/c1-16(13-15-22)9-12-20(23-6)18(3)10-11-19-17(2)8-7-14-21(19,4)5/h9-13H,7-8,14H2,1-6H3/b11-10+,12-9+,16-13+,20-18-
InChIKey AQJMZCWUACZHFB-YPEFRAJESA-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 327.528 g/mol
Solvent CDCl3
Source File Reference UWLU26137