John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=15lRJ83bli3 SpectraBase Spectrum ID=2dadSiodwhD

(accessed ).
METHYL-8-HYDROXY-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
SpectraBase Compound ID 15lRJ83bli3
InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
InChIKey ZQRYAWVNSTVEIJ-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.19876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dadSiodwhD
Name METHYL-8-HYDROXY-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
Compound Number 12
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
InChIKey ZQRYAWVNSTVEIJ-UHFFFAOYSA-N
Literature Reference Author F.CAIJO,P.MOSSET,R.GREE,V.AUDINOT-BOUCHEZ,J.BOUTIN,P.RENARD, D.H.CAIGNARD,C.DACQU
Literature Reference Citation EUR.J.ORG.CHEM.,2181(2006)
Literature Reference DOI 10.1002/ejoc.200500918
Molecular Weight 332.440 g/mol
Sample ID 46599
Solvent CDCl3
SpectraBase Batch ID 7CF0ONBdC7G