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METHYL-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
SpectraBase Compound ID 5s3clwi8Uin
InChI InChI=1S/C20H28O3/c1-3-4-12-17-23-19-15-11-10-14-18(19)13-8-6-5-7-9-16-20(21)22-2/h10-11,14-15H,3-4,7-9,12-13,16-17H2,1-2H3
InChIKey CJXOOLLGJYAYTF-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gvnNbpdJRP
Name METHYL-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
Compound Number 2 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-3-4-12-17-23-19-15-11-10-14-18(19)13-8-6-5-7-9-16-20(21)22-2/h10-11,14-15H,3-4,7-9,12-13,16-17H2,1-2H3
InChIKey CJXOOLLGJYAYTF-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 316.441 g/mol
Sample ID 46612
Solvent CDCl3