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3-(4-BROMOBENZYLSULFANYL)-2-THIABICYCLO-[2.2.1]-HEPT-5-ENE
SpectraBase Compound ID 1NXJRfztN4Y
InChI InChI=1S/2C13H13BrS2/c2*14-11-4-1-9(2-5-11)8-15-13-10-3-6-12(7-10)16-13/h2*1-6,10,12-13H,7-8H2/t10-,12+,13+;10-,12+,13-/m01/s1
InChIKey AHVJJXLCFMTRRC-LTCBHJGXSA-N
Mol Weight 626.54 g/mol
Molecular Formula C26H26Br2S4
Exact Mass 623.928412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5ZJpFiNiEs
Name 3-(4-BROMOBENZYLSULFANYL)-2-THIABICYCLO-[2.2.1]-HEPT-5-ENE
Compound Number 8B-ENDO+8B-EXO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26Br2S4
InChI InChI=1S/2C13H13BrS2/c2*14-11-4-1-9(2-5-11)8-15-13-10-3-6-12(7-10)16-13/h2*1-6,10,12-13H,7-8H2/t10-,12+,13+;10-,12+,13-/m01/s1
InChIKey AHVJJXLCFMTRRC-LTCBHJGXSA-N
Literature Reference Author S.SANCHEZ,J.H.BATESON,P.J.O.HANLON,T.GALLAGHER
Literature Reference Citation ORG.LETTERS,6,2781(2004)
Literature Reference DOI 10.1021/ol048991z
Molecular Weight 626.540 g/mol
Sample ID 34603
Solvent CDCl3