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(1R*,2R*,8R*)-2-Chloro-1-methoxy-8-methyl-5-oxo-bicyclo(2.2.2)octane-2-carbonitrile
SpectraBase Compound ID CUBJTQyHQ2X
InChI InChI=1S/C11H14ClNO2/c1-7-3-11(15-2)5-9(14)8(7)4-10(11,12)6-13/h7-8H,3-5H2,1-2H3/t7?,8-,10+,11+/m1/s1
InChIKey VQCRIXQVCHVIKW-NGJJGHSNSA-N
Mol Weight 227.69 g/mol
Molecular Formula C11H14ClNO2
Exact Mass 227.071306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XOU4TeXv2
Name (1R*,2R*,8R*)-2-Chloro-1-methoxy-8-methyl-5-oxo-bicyclo(2.2.2)octane-2-carbonitrile
Comments ANTI-EXO-ISOMER|REASSIGNED 1/10 MGr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14ClNO2
InChI InChI=1S/C11H14ClNO2/c1-7-3-11(15-2)5-9(14)8(7)4-10(11,12)6-13/h7-8H,3-5H2,1-2H3/t7?,8-,10+,11+/m1/s1
InChIKey VQCRIXQVCHVIKW-NGJJGHSNSA-N
Instrument Name Bruker WM-250
Literature Reference R.S. Clark, A.B. Holmes, V.G. Matassa, J. Chem. Soc. Perkin I 1389 (1990).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3