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(-)-(2Z,1'S,4S,5S)-4-METHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
SpectraBase Compound ID JDQQXJSl6MM
InChI InChI=1S/C24H28O3/c1-5-13-23(26-19(4)20-14-9-7-10-15-20)18(3)22(6-2)27-24(25)21-16-11-8-12-17-21/h5-12,14-19,23H,1,13H2,2-4H3/b22-6-/t18-,19+,23-/m0/s1
InChIKey KWAFYHQSVIAWMZ-PQWQHLMKSA-N
Mol Weight 364.49 g/mol
Molecular Formula C24H28O3
Exact Mass 364.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APZunar7lCs
Name (-)-(2Z,1'S,4S,5S)-4-METHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28O3
InChI InChI=1S/C24H28O3/c1-5-13-23(26-19(4)20-14-9-7-10-15-20)18(3)22(6-2)27-24(25)21-16-11-8-12-17-21/h5-12,14-19,23H,1,13H2,2-4H3/b22-6-/t18-,19+,23-/m0/s1
InChIKey KWAFYHQSVIAWMZ-PQWQHLMKSA-N
Literature Reference Author M.TURKS,F.FONQUERNE,P.VOGEL
Literature Reference Citation ORG.LETTERS,6,1053(2004)
Literature Reference DOI 10.1021/ol0498646
Molecular Weight 364.485 g/mol
Sample ID 50201
Solvent CDCl3