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4-(4-Chloro-phenyl)-2,6-di-tert-butyl-4,5-epoxy-6-hydroxy-2-cyclohexen-1-one

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4-(4-Chloro-phenyl)-2,6-di-tert-butyl-4,5-epoxy-6-hydroxy-2-cyclohexen-1-one
SpectraBase Compound ID IGYQzBhGwhH
InChI InChI=1S/C20H25ClO3/c1-17(2,3)14-11-19(12-7-9-13(21)10-8-12)16(24-19)20(23,15(14)22)18(4,5)6/h7-11,16,23H,1-6H3
InChIKey BCXBNVAJJKNBJY-UHFFFAOYSA-N
Mol Weight 348.87 g/mol
Molecular Formula C20H25ClO3
Exact Mass 348.149222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1527aRuRyug
Name 4-(4-Chloro-phenyl)-2,6-di-tert-butyl-4,5-epoxy-6-hydroxy-2-cyclohexen-1-one
CAS Registry Number 66718-22-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H25ClO3
InChI InChI=1S/C20H25ClO3/c1-17(2,3)14-11-19(12-7-9-13(21)10-8-12)16(24-19)20(23,15(14)22)18(4,5)6/h7-11,16,23H,1-6H3
InChIKey BCXBNVAJJKNBJY-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference A. Nishinaga, T. Itahara, T. Matsuura, J. Am. Chem. Soc. 100, 1826 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3