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(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-1-(TETRAHYDROPYRAN)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE
SpectraBase Compound ID 1qF71WaHjhk
InChI InChI=1S/C28H41NO4/c1-22(11-9-13-23(2)18-20-32-27-17-7-8-19-31-27)12-10-14-24(3)21-33-28(30)25-15-5-6-16-26(25)29-4/h5-6,11,14-16,18,27,29H,7-10,12-13,17,19-21H2,1-4H3/b22-11+,23-18+,24-14+
InChIKey VNGDFYHWAKWOIL-LQURKNFGSA-N
Mol Weight 455.6 g/mol
Molecular Formula C28H41NO4
Exact Mass 455.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfZo1sVrG65
Name (E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-1-(TETRAHYDROPYRAN)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H41NO4
InChI InChI=1S/C28H41NO4/c1-22(11-9-13-23(2)18-20-32-27-17-7-8-19-31-27)12-10-14-24(3)21-33-28(30)25-15-5-6-16-26(25)29-4/h5-6,11,14-16,18,27,29H,7-10,12-13,17,19-21H2,1-4H3/b22-11+,23-18+,24-14+
InChIKey VNGDFYHWAKWOIL-LQURKNFGSA-N
Literature Reference Author K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI 10.1021/ja002723o
Molecular Weight 455.638 g/mol
Solvent CDCl3
Source File Reference UWSI23412