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1,4-Methanobiphenylene, 6-bromo-1,2,3,4,4a,8b-hexahydro-9-methoxy-, (1.alpha.,4.alpha.,4a.beta.,8b.beta.,9R*)-
SpectraBase Compound ID B0LqrsQaWrg
InChI InChI=1S/C14H15BrO/c1-16-14-9-4-5-10(14)13-11-6-7(15)2-3-8(11)12(9)13/h2-3,6,9-10,12-14H,4-5H2,1H3/t9-,10+,12+,13+,14+/m0/s1
InChIKey KBXANXWNJWKCNB-NRFQWKTPSA-N
Mol Weight 279.18 g/mol
Molecular Formula C14H15BrO
Exact Mass 278.030628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYjRK7sPmlw
Name 1,4-Methanobiphenylene, 6-bromo-1,2,3,4,4a,8b-hexahydro-9-methoxy-, (1.alpha.,4.alpha.,4a.beta.,8b.beta.,9R*)-
CAS Registry Number 75880-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrO
InChI InChI=1S/C14H15BrO/c1-16-14-9-4-5-10(14)13-11-6-7(15)2-3-8(11)12(9)13/h2-3,6,9-10,12-14H,4-5H2,1H3/t9-,10+,12+,13+,14+/m0/s1
InChIKey KBXANXWNJWKCNB-NRFQWKTPSA-N
Molecular Weight 279.177 g/mol
SMILES [C@]12([C@@]([C@]3([H])[C@@]([C@]2(CC3)[H])(OC)[H])([H])c2c1ccc(Br)c2)[H]
SPLASH splash10-00di-5690000000-8df6b17cd76b6436ff66
Source of Spectrum B-33-1502-0
Synonyms (1.alpha.,4.alpha.,4a.beta.,8b.beta.)-6-Bromo-syn-9-methoxy-1,2,3,4,4a,8b-hexahydrobiphenylene (1S,2R,9S,10R,13R)-5-bromo-13-methoxytetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3,5,7-triene (1S,2R,9S,10R,13R)-5-bromotetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3,5,7-trien-13-yl methyl ether
Wiley ID 1281757