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METHYL-8-METHOXY-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
SpectraBase Compound ID 8R0a1gLNRCC
InChI InChI=1S/C21H30O4/c1-4-5-12-17-25-20-15-11-10-13-18(20)19(23-2)14-8-6-7-9-16-21(22)24-3/h10-11,13,15,19H,4-5,7,9,12,14,16-17H2,1-3H3
InChIKey JIWREVBVYXYFCO-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zxfSNBTK5a
Name METHYL-8-METHOXY-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-4-5-12-17-25-20-15-11-10-13-18(20)19(23-2)14-8-6-7-9-16-21(22)24-3/h10-11,13,15,19H,4-5,7,9,12,14,16-17H2,1-3H3
InChIKey JIWREVBVYXYFCO-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 346.467 g/mol
Sample ID 46608
Solvent CDCl3