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1-Bromo-3-[4-(4-bromophenyl)phenyl]adamantane
SpectraBase Compound ID 1NxRlPPmDLO
InChI InChI=1S/C22H22Br2/c23-20-7-3-18(4-8-20)17-1-5-19(6-2-17)21-10-15-9-16(11-21)13-22(24,12-15)14-21/h1-8,15-16H,9-14H2/t15-,16+,21+,22-
InChIKey TZAWSZKIXCNRET-WGKKAQPQSA-N
Mol Weight 446.23 g/mol
Molecular Formula C22H22Br2
Exact Mass 444.008827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmvIVgKjgfu
Name 1-Bromo-3-[4-(4-bromophenyl)phenyl]adamantane
Comments Less than 3 mono-isotopic peaks
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Formula C22H22Br2
InChI InChI=1S/C22H22Br2/c23-20-7-3-18(4-8-20)17-1-5-19(6-2-17)21-10-15-9-16(11-21)13-22(24,12-15)14-21/h1-8,15-16H,9-14H2/t15-,16+,21+,22-
InChIKey TZAWSZKIXCNRET-WGKKAQPQSA-N
Molecular Weight 446.226 g/mol
SMILES [C@]12(C[C@]3(Br)C[C@](C2)(C[C@](C1)(C3)[H])[H])c1ccc(cc1)-c1ccc(cc1)Br
SPLASH splash10-0002-0000900000-890a693214894a6bc7d6
Source of Spectrum SO-0-150-9
Wiley ID 875314