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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

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SpectraBase Spectrum ID ARTHycSyn27
Name 8-CHLORO-11-BROMO-[5]-METACYCLOPHANE;(KONFORMER-B)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author L.W.JENNESKENS,F.J.J.DE-KANTER,W.H.DE-WOLF,F.BICKELHAUPT
Literature Reference Citation MAGN.RES.CHEM.,24,308(1986)
Literature Reference DOI 10.1002/mrc.1260240408
Molecular Weight 259.573 g/mol
Solvent CDCl3
Source File Reference UNIW20602