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4-tert-Butyl-1,3-cyclohexanedione 1-ethylene ketal

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4-tert-Butyl-1,3-cyclohexanedione 1-ethylene ketal
SpectraBase Compound ID 2KFc8VQgo1S
InChI InChI=1S/C12H20O3/c1-11(2,3)9-4-5-12(8-10(9)13)14-6-7-15-12/h9H,4-8H2,1-3H3
InChIKey BRUMPIUCGVBOHC-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79XnsVejuVB
Name 4-tert-Butyl-1,3-cyclohexanedione 1-ethylene ketal
CAS Registry Number 113778-46-4
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-11(2,3)9-4-5-12(8-10(9)13)14-6-7-15-12/h9H,4-8H2,1-3H3
InChIKey BRUMPIUCGVBOHC-UHFFFAOYSA-N
Literature Reference D.A. Evans, K.T. Chapman, E.M. Carreira, J. Am. Chem. Soc. 110, 3560 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3