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1-BrOMO-3-(2'-PYRIDYLTHIO)-ADAMANTANE;X=BR,Y=S-C5H4N
SpectraBase Compound ID BcYbZ207rqi
InChI InChI=1S/C15H18BrNS/c16-14-6-11-5-12(7-14)9-15(8-11,10-14)18-13-3-1-2-4-17-13/h1-4,11-12H,5-10H2/t11-,12+,14+,15-
InChIKey BLXPLOHBAISNGJ-IKARSPCKSA-N
Mol Weight 324.28 g/mol
Molecular Formula C15H18BrNS
Exact Mass 323.034334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CU9qR2bvqmg
Name 1-BrOMO-3-(2'-PYRIDYLTHIO)-ADAMANTANE;X=BR,Y=S-C5H4N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18BrNS
InChI InChI=1S/C15H18BrNS/c16-14-6-11-5-12(7-14)9-15(8-11,10-14)18-13-3-1-2-4-17-13/h1-4,11-12H,5-10H2/t11-,12+,14+,15-
InChIKey BLXPLOHBAISNGJ-IKARSPCKSA-N
Literature Reference Author W.ADCOCK,C.I.CLARK
Literature Reference Citation J.ORG.CHEM.,58,7341(1993)
Literature Reference DOI 10.1021/jo00078a009
Molecular Weight 324.279 g/mol
Solvent CDCl3
Source File Reference UWMZ1599