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ETHYL-6-PHENYL-[1.5]-DIOXANE-3-CARBOXYLIC_ACID_ESTER
SpectraBase Compound ID 4xQANgBNGzk
InChI InChI=1S/2C13H16O4/c2*1-2-15-12(14)11-8-16-13(17-9-11)10-6-4-3-5-7-10/h2*3-7,11,13H,2,8-9H2,1H3
InChIKey RHJZZJGRMDJQGT-UHFFFAOYSA-N
Mol Weight 472.53 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUzeKWsnCvH
Name ETHYL-6-PHENYL-[1.5]-DIOXANE-3-CARBOXYLIC_ACID_ESTER
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O8
InChI InChI=1S/2C13H16O4/c2*1-2-15-12(14)11-8-16-13(17-9-11)10-6-4-3-5-7-10/h2*3-7,11,13H,2,8-9H2,1H3
InChIKey RHJZZJGRMDJQGT-UHFFFAOYSA-N
Literature Reference Author R.J.CAPON,D.VUONG,E.LACEY,J.H.GILL
Literature Reference Citation J.NAT.PROD.,68,179(2005)
Literature Reference DOI 10.1021/np049687h
Molecular Weight 472.535 g/mol
Solvent CDCl3
Source File Reference UWMZ8802