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(13R / 13S)-2,2'-bis(1"-Bromotetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3",5",7",11"-tetraenyl)
SpectraBase Compound ID 9zffcbfof6d
InChI InChI=1S/C26H20Br2/c27-25-17-9-15(19-11-5-1-3-7-13(11)21(17)19)23(25)24-16-10-18(26(24)28)22-14-8-4-2-6-12(14)20(16)22/h1-8,15-22H,9-10H2/t15-,16-,17+,18+,19+,20+,21-,22-/m0/s1
InChIKey DKCLLLDKUYCHLB-TUGIDLRSSA-N
Mol Weight 492.25 g/mol
Molecular Formula C26H20Br2
Exact Mass 489.993177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jr5qFFbLUpq
Name (13R / 13S)-2,2'-bis(1"-Bromotetracyclo[8.2.1.0(2,9).0(3,8)]trideca-3",5",7",11"-tetraenyl)
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Formula C26H20Br2
InChI InChI=1S/C26H20Br2/c27-25-17-9-15(19-11-5-1-3-7-13(11)21(17)19)23(25)24-16-10-18(26(24)28)22-14-8-4-2-6-12(14)20(16)22/h1-8,15-22H,9-10H2/t15-,16-,17+,18+,19+,20+,21-,22-/m0/s1
InChIKey DKCLLLDKUYCHLB-TUGIDLRSSA-N
Molecular Weight 492.254 g/mol
SMILES C1(C2=C([C@@]3(C[C@]2([C@@]2([C@]3(c3ccccc23)[H])[H])[H])[H])Br)=C([C@@]2(C[C@]1([C@@]1([C@]2(c2ccccc12)[H])[H])[H])[H])Br
SPLASH splash10-0udi-0910100000-c4d5bb448a1982f7bd83
Source of Spectrum K1-2004-190-19
Wiley ID 1559913