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4-P-Tolyl-2,6-di-tert-butyl-4,5-epoxy-6-hydroxy-2-cyclohexenone

View entire compound with spectra: 1 NMR

4-P-Tolyl-2,6-di-tert-butyl-4,5-epoxy-6-hydroxy-2-cyclohexenone
SpectraBase Compound ID Lu0rVnzIJmG
InChI InChI=1S/C21H28O3/c1-13-8-10-14(11-9-13)20-12-15(18(2,3)4)16(22)21(23,17(20)24-20)19(5,6)7/h8-12,17,23H,1-7H3
InChIKey WWKHJNSZMYPQQP-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DzHoORQgkt
Name 4-P-Tolyl-2,6-di-tert-butyl-4,5-epoxy-6-hydroxy-2-cyclohexenone
CAS Registry Number 66475-70-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13-8-10-14(11-9-13)20-12-15(18(2,3)4)16(22)21(23,17(20)24-20)19(5,6)7/h8-12,17,23H,1-7H3
InChIKey WWKHJNSZMYPQQP-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