For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
8-CHLORO-11-BROMO-[5]-METACYCLOPHANE;(KONFORMER-A)
SpectraBase Compound ID 1KKZjtzvAym
InChI InChI=1S/C11H12BrCl/c12-11-8-4-2-1-3-5-9(11)7-10(13)6-8/h6-7H,1-5H2
InChIKey WZTXIKSWAQFSOT-UHFFFAOYSA-N
Mol Weight 259.57 g/mol
Molecular Formula C11H12BrCl
Exact Mass 257.981091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4Aa5HgLKX00
Name 11-Bromo-8-chloro-(5)metacyclophane
CAS Registry Number 96426-51-6
Comments CONFORMER 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12BrCl
InChI InChI=1S/C11H12BrCl/c12-11-8-4-2-1-3-5-9(11)7-10(13)6-8/h6-7H,1-5H2
InChIKey WZTXIKSWAQFSOT-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference L.W. Jenneskens, F. Bickelhaupt, Magn. Res. Chem. 24, 308 (1986).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3