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1,4-Methanobiphenylene, 6-bromo-1,2,3,4,4a,8b-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,8b.beta.)-
SpectraBase Compound ID AdyTIqrEOT5
InChI InChI=1S/C13H13Br/c14-9-3-4-10-11(6-9)13-8-2-1-7(5-8)12(10)13/h3-4,6-8,12-13H,1-2,5H2/t7-,8+,12-,13+/m0/s1
InChIKey VKTJIYQTOCVUQZ-HYRRULHTSA-N
Mol Weight 249.15 g/mol
Molecular Formula C13H13Br
Exact Mass 248.020063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N0sWcBKs3Q
Name 1,4-Methanobiphenylene, 6-bromo-1,2,3,4,4a,8b-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,8b.beta.)-
CAS Registry Number 75854-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13Br
InChI InChI=1S/C13H13Br/c14-9-3-4-10-11(6-9)13-8-2-1-7(5-8)12(10)13/h3-4,6-8,12-13H,1-2,5H2/t7-,8+,12-,13+/m0/s1
InChIKey VKTJIYQTOCVUQZ-HYRRULHTSA-N
Molecular Weight 249.151 g/mol
SMILES [C@]12([C@@]([C@@]3([H])C[C@@]2(CC3)[H])([H])c2c1ccc(Br)c2)[H]
SPLASH splash10-0a6r-0890000000-24930275416baaf9e231
Source of Spectrum B-33-1502-0
Synonyms (1.alpha.,4.alpha.,4a.beta.,8b.beta.)-6-Bromo-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene (1R,2S,9R,10S)-5-bromotetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3,5,7-triene Hydro-1,4-methanobiphenylene
Wiley ID 1250890