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8,8-Dichloro-tetracyclo(4.2.0.0/2,4/.0/3,6/)octan-7-one
SpectraBase Compound ID bu72HXQfXc
InChI InChI=1S/C8H6Cl2O/c9-8(10)6-4-1-2(4)3(1)5(6)7(8)11/h1-6H
InChIKey DSGPYAIUPHKZKS-UHFFFAOYSA-N
Mol Weight 189.04 g/mol
Molecular Formula C8H6Cl2O
Exact Mass 187.97957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xElByJrzr0
Name 8,8-Dichloro-tetracyclo(4.2.0.0/2,4/.0/3,6/)octan-7-one
CAS Registry Number 54220-48-3
Comments C4 SYN, C3 ANTI
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H6Cl2O
InChI InChI=1S/C8H6Cl2O/c9-8(10)6-4-1-2(4)3(1)5(6)7(8)11/h1-6H
InChIKey DSGPYAIUPHKZKS-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference L.R. Smith, G.E. Gream, J. Meinwald, J. Org. Chem. 42, 927 (1977).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3