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(5S)-6-(2-HYDROXY-4-PHENYLBUTYL)-2,2-DIMETHYL-[1,3]-DIOXIN-4-ONE

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(5S)-6-(2-HYDROXY-4-PHENYLBUTYL)-2,2-DIMETHYL-[1,3]-DIOXIN-4-ONE
SpectraBase Compound ID 9YTndGPlKX8
InChI InChI=1S/C16H20O4/c1-16(2)19-14(11-15(18)20-16)10-13(17)9-8-12-6-4-3-5-7-12/h3-7,11,13,17H,8-10H2,1-2H3/t13-/m1/s1
InChIKey AITQGGQCRKDQQJ-CYBMUJFWSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qn8Yq4bkvG
Name (5S)-6-(2-HYDROXY-4-PHENYLBUTYL)-2,2-DIMETHYL-[1,3]-DIOXIN-4-ONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-16(2)19-14(11-15(18)20-16)10-13(17)9-8-12-6-4-3-5-7-12/h3-7,11,13,17H,8-10H2,1-2H3/t13-/m1/s1
InChIKey AITQGGQCRKDQQJ-CYBMUJFWSA-N
Literature Reference Author S.E.DENMARK,G.L.BEUTNER
Literature Reference Citation J.AM.CHEM.SOC.,125,7800(2003)
Literature Reference DOI 10.1021/ja035448p
Molecular Weight 276.332 g/mol
Sample ID 41573
Solvent CDCl3