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3,7-DIMETHYL-2-IODO-9-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6,8-NONATETRAENENITRILE
SpectraBase Compound ID 7ivjTE6e5jy
InChI InChI=1S/C20H26IN/c1-15(8-6-9-17(3)19(21)14-22)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-9,11-12H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,19-17-
InChIKey GBVVFSGSLUNWMB-FTAQHSIRSA-N
Mol Weight 407.34 g/mol
Molecular Formula C20H26IN
Exact Mass 407.110995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6EuxL30HitV
Name 3,7-DIMETHYL-2-IODO-9-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6,8-NONATETRAENENITRILE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26IN
InChI InChI=1S/C20H26IN/c1-15(8-6-9-17(3)19(21)14-22)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-9,11-12H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,19-17-
InChIKey GBVVFSGSLUNWMB-FTAQHSIRSA-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 407.338 g/mol
Solvent CDCl3
Source File Reference UWLU26143