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(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE-1-CHLORIDE
SpectraBase Compound ID J3TGtMtI1Mn
InChI InChI=1S/C23H32ClNO2/c1-18(9-7-11-19(2)15-16-24)10-8-12-20(3)17-27-23(26)21-13-5-6-14-22(21)25-4/h5-6,9,12-15,25H,7-8,10-11,16-17H2,1-4H3/b18-9+,19-15+,20-12+
InChIKey COXVHXCHLZVEQY-OSWOODOJSA-N
Mol Weight 390.0 g/mol
Molecular Formula C23H32ClNO2
Exact Mass 389.212157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dDVieGTyJh
Name (E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE-1-CHLORIDE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32ClNO2
InChI InChI=1S/C23H32ClNO2/c1-18(9-7-11-19(2)15-16-24)10-8-12-20(3)17-27-23(26)21-13-5-6-14-22(21)25-4/h5-6,9,12-15,25H,7-8,10-11,16-17H2,1-4H3/b18-9+,19-15+,20-12+
InChIKey COXVHXCHLZVEQY-OSWOODOJSA-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 389.966 g/mol
Solvent CDCl3
Source File Reference UWSI23414