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1-Hydroxy-4,4-dimethyl-2,6-dioxo-cyclooctan-1-yl-acetic acid, .beta.-lcatone
SpectraBase Compound ID 8GOe3ORksKl
InChI InChI=1S/C12H16O4/c1-11(2)5-8(13)3-4-12(9(14)6-11)7-10(15)16-12/h3-7H2,1-2H3
InChIKey XNYNNAHUGLIWTH-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhHvOSyq9qq
Name 1-Hydroxy-4,4-dimethyl-2,6-dioxo-cyclooctan-1-yl-acetic acid, .beta.-lcatone
CAS Registry Number 67104-11-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-11(2)5-8(13)3-4-12(9(14)6-11)7-10(15)16-12/h3-7H2,1-2H3
InChIKey XNYNNAHUGLIWTH-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference T. Kato, M. Sato, Y. Kitagawa, J. Chem. Soc. Perkin I 352 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine