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#14;2-[(1E,3E,5E,7E)-2,6-DIMETHYL-8-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-OCTA-1,3,5,7-TETRAEN-1-YL]-4-[(1E,3E,5E)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-E

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#14;2-[(1E,3E,5E,7E)-2,6-DIMETHYL-8-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-OCTA-1,3,5,7-TETRAEN-1-YL]-4-[(1E,3E,5E)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-E
SpectraBase Compound ID 1fXFXpMOXiR
InChI InChI=1S/C40H53N/c1-30(20-22-37-33(4)17-12-25-39(37,6)7)14-10-16-32(3)28-36-29-35(24-27-41-36)19-11-15-31(2)21-23-38-34(5)18-13-26-40(38,8)9/h10-11,14-16,19-24,27-29H,12-13,17-18,25-26H2,1-9H3/b16-10+,19-11+,22-20+,23-21+,30-14+,31-15+,32-28+
InChIKey VPIXDCNOXFAQKS-NWRWVAKMSA-N
Mol Weight 547.9 g/mol
Molecular Formula C40H53N
Exact Mass 547.417801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fgtn6BuUpmi
Name #14;2-[(1E,3E,5E,7E)-2,6-DIMETHYL-8-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-OCTA-1,3,5,7-TETRAEN-1-YL]-4-[(1E,3E,5E)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H53N
InChI InChI=1S/C40H53N/c1-30(20-22-37-33(4)17-12-25-39(37,6)7)14-10-16-32(3)28-36-29-35(24-27-41-36)19-11-15-31(2)21-23-38-34(5)18-13-26-40(38,8)9/h10-11,14-16,19-24,27-29H,12-13,17-18,25-26H2,1-9H3/b16-10+,19-11+,22-20+,23-21+,30-14+,31-15+,32-28+
InChIKey VPIXDCNOXFAQKS-NWRWVAKMSA-N
Literature Reference Author C.SICRE,M.M.CID
Literature Reference Citation ORG.LETTERS,7,5737(2005)
Literature Reference DOI 10.1021/ol052512u
Molecular Weight 547.868 g/mol
Sample ID 63347
Solvent CDCl3