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(1R*,2S*)-2-Chloro-1-methoxy-5-oxo-bicyclo(2.2.2)octane-2-carbonitrile
SpectraBase Compound ID 2W1wc9iN1J3
InChI InChI=1S/C10H12ClNO2/c1-14-10-3-2-7(8(13)5-10)4-9(10,11)6-12/h7H,2-5H2,1H3/t7-,9-,10-/m0/s1
InChIKey AFWMSWCDHIDWQE-HGNGGELXSA-N
Mol Weight 213.66 g/mol
Molecular Formula C10H12ClNO2
Exact Mass 213.055656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrLZD31L78v
Name (1R*,2S*)-2-Chloro-1-methoxy-5-oxo-bicyclo(2.2.2)octane-2-carbonitrile
Comments REASSIGNED 1/9 MGr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12ClNO2
InChI InChI=1S/C10H12ClNO2/c1-14-10-3-2-7(8(13)5-10)4-9(10,11)6-12/h7H,2-5H2,1H3/t7-,9-,10-/m0/s1
InChIKey AFWMSWCDHIDWQE-HGNGGELXSA-N
Instrument Name Bruker WM-250
Literature Reference R.S. Clark, A.B. Holmes, V.G. Matassa, J. Chem. Soc. Perkin I 1401 (1990).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3