John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CcdGTbyYFN5 SpectraBase Spectrum ID=2WetyOOqKTU

(accessed ).
(-)-(2Z,4S,5S,1'S)-4,7-DIMETHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
SpectraBase Compound ID CcdGTbyYFN5
InChI InChI=1S/C25H30O3/c1-6-23(28-25(26)22-15-11-8-12-16-22)19(4)24(17-18(2)3)27-20(5)21-13-9-7-10-14-21/h6-16,19-20,24H,2,17H2,1,3-5H3/b23-6-/t19-,20-,24+/m0/s1
InChIKey ZLILOPDZLPQYHI-RUZXYFLQSA-N
Mol Weight 378.51 g/mol
Molecular Formula C25H30O3
Exact Mass 378.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WetyOOqKTU
Name (-)-(2Z,4S,5S,1'S)-4,7-DIMETHYL-5-(1'-PHENYLETHOXY)-OCTA-2,7-DIEN-3-YL-BENZOATE
Compound Number 18B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O3
InChI InChI=1S/C25H30O3/c1-6-23(28-25(26)22-15-11-8-12-16-22)19(4)24(17-18(2)3)27-20(5)21-13-9-7-10-14-21/h6-16,19-20,24H,2,17H2,1,3-5H3/b23-6-/t19-,20-,24+/m0/s1
InChIKey ZLILOPDZLPQYHI-RUZXYFLQSA-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 378.511 g/mol
Sample ID 50203
Solvent CDCl3
SpectraBase Batch ID JKWlDOX9SyA