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1-Deuterio-bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID FacpQtIOGSe
InChI InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2/t6-,7+/i7D
InChIKey VEPYQCZRVLNDBC-QIUDRKOXSA-N
Mol Weight 125.19 g/mol
Molecular Formula C8H11DO
Exact Mass 125.095092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4BIfXPErrI
Name 1-Deuterio-bicyclo(2.2.2)octan-2-one
CAS Registry Number 92720-94-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11DO
InChI InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2/t6-,7+/i7D
InChIKey VEPYQCZRVLNDBC-QIUDRKOXSA-N
Instrument Name Jeol FX-60
Literature Reference D.A. Forsyth, J.H. Botkin, V.M. Osterman, J. Am. Chem. Soc. 106, 7663 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3