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3-Methyl-6-(2-hydroxy-1,1-dimethyl-7-[4-bromo-phenyl]-5-oxa-4,7-dioxo-heptyl)-tetrahydropyran-2-one

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3-Methyl-6-(2-hydroxy-1,1-dimethyl-7-[4-bromo-phenyl]-5-oxa-4,7-dioxo-heptyl)-tetrahydropyran-2-one
SpectraBase Compound ID 8iTuCoSQfvW
InChI InChI=1S/C20H25BrO6/c1-12-4-9-17(27-19(12)25)20(2,3)16(23)10-18(24)26-11-15(22)13-5-7-14(21)8-6-13/h5-8,12,16-17,23H,4,9-11H2,1-3H3
InChIKey SEPFJYGRGMQSHL-UHFFFAOYSA-N
Mol Weight 441.32 g/mol
Molecular Formula C20H25BrO6
Exact Mass 440.083452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4srOR5F9Fo1
Name 3-Methyl-6-(2-hydroxy-1,1-dimethyl-7-[4-bromo-phenyl]-5-oxa-4,7-dioxo-heptyl)-tetrahydropyran-2-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H25BrO6
InChI InChI=1S/C20H25BrO6/c1-12-4-9-17(27-19(12)25)20(2,3)16(23)10-18(24)26-11-15(22)13-5-7-14(21)8-6-13/h5-8,12,16-17,23H,4,9-11H2,1-3H3
InChIKey SEPFJYGRGMQSHL-UHFFFAOYSA-N
Instrument Name Bruker WH-360
Literature Reference J.J. Lee, P.M. Dewick, C.P. Gorst-Allman, J. Am. Chem. Soc. 109, 5426 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3